SCHEMBL7979749

SCHEMBL7979749

COc1ccc(C(=O)OCC2=CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 8/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
ESR2 Q92731 1/20 0.49
HPGD P15428 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45

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
SCHEMBL8014754 0.90 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL8014750 0.84 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL21306553 0.82 CES2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL16689961 0.77 KMT2A (0.67) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL13366184 0.76 MAPT (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL15536378 0.75 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL674080 0.75 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL8420960 0.74 HDAC4 (0.44) SMN1; SMN2RAB9AALDH1A1MAPTMEN1
SCHEMBL15128314 0.74 PTPN1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL678301 0.74 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297267-B1 PROSTAGLANDIN I2 AGONIST. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-02 US disclosed
EP-1027340-A1 4, 5-DIARYLOXAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-16 EP disclosed
WO-1999021843-A1 4, 5-DIARYLOXAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed