SCHEMBL7276901

SCHEMBL7276901

COc1ccccc1Cc1ccc(=O)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
HTR2C P28335 1/20 0.47
CNR2 P34972 5/20 0.44
KDM1A O60341 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
IDH1 O75874 1/20 0.42
PNP P00491 1/20 0.41
IDO1 P14902 2/20 0.40
NR3C1 P04150 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7276846 0.80 PDE4A (0.45) ARPTGS1PTGS2GAAPDE4A
Hydrochloric Acid SCHEMBL7274487 0.79 PDE4A (0.44) ARPTGS1PTGS2GAAPDE4A
SCHEMBL5370463 0.79 CYP3A4 (0.63) ARPTGS1PTGS2HTR2CCNR2
SCHEMBL28149817 0.78 HTR2C (0.51) ARHTR2CKDM1AGAAHSD17B10
SCHEMBL3215294 0.76 AKR1B1 (0.43) AR
SCHEMBL16429432 0.75 CYP1A2 (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL6236041 0.74 AKR1B1 (0.69) ARPTGS1PTGS2
SCHEMBL16861315 0.74 AR (0.46) ARHTR2CKDM1AGAAHSD17B10
SCHEMBL27768176 0.74 AR (0.46) ARHTR2CKDM1AGAAHSD17B10
SCHEMBL27916991 0.73 MTNR1A (0.48) ARPTGS1PTGS2KDM1AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809490-A4 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0871436-A4 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0835104-A4 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0871436-A1 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-21 EP disclosed
EP-0835104-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-15 EP disclosed
EP-0809490-A1 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997002024-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-23 WO disclosed
WO-1997002023-A1 USE OF Stat 6 SH2 DOMAIN SPECIFIC COMPOUNDS TO TREAT ALLERGIC REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-23 WO disclosed
EP-0728482-A2 Use of hcp specific compounds to enhance erythropoiesis SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
EP-0727211-A1 Use of src SH2 specific compounds to treat a bone resorption disease SMITHKLINE BEECHAM CORPORATION (US) 1996-08-21 EP disclosed
WO-1996024343-A1 USE OF LCK SH2 SPECIFIC COMPOUNDS TO TREAT AUTOIMMUNE DISEASES AND ALLOGRAFT REJECTION SMITHKLINE BEECHAM CORPORATION (US) 1996-08-15 WO disclosed
US-5061798-A Intermediates in the formation of synthetic hormones, mimic effects of thyroid hormones; little or no effect on the heart SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-10-29 US disclosed
EP-0188351-B1 CHEMICAL COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-03-13 EP disclosed
US-4910305-A Containing a protected 4-hydroxyphenyl SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-20 US disclosed
US-4826876-A WITHOUT EFFECT ON HEART SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-05-02 US disclosed
US-4766121-A NOT AFFECTING THE HEART SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1988-08-23 US disclosed
EP-0188351-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-07-23 EP disclosed