SCHEMBL10693720

SCHEMBL10693720

CC(C)Cc1ccc(C(C)C(=O)N(O)Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 1.00
PTGS1 P23219 3/20 0.58
PTGS2 P35354 3/20 0.58
LMNA P02545 2/20 0.58
CYP2C9 P11712 2/20 0.58
AKR1C3 P42330 2/20 0.58
CXCR1 P25024 2/20 0.58
CXCR2 P25025 2/20 0.58
ALB P02768 1/20 0.58
ESR1 P03372 1/20 0.58
RARB P10826 1/20 0.58
ADRB3 P13945 1/20 0.58
NFKB1 P19838 1/20 0.58
HTR2A P28223 1/20 0.58
NR1I3 Q14994 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
CXCL8 P10145 1/20 0.58
TSHR P16473 1/20 0.58
AKR1C2 P52895 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL10694238 0.86 ALOX5 (0.76) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL2334501 0.82 ALOX5 (0.69) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL10691580 0.80 ALOX5 (0.67) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL10875435 0.79 ALOX5 (0.66) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL17774456 0.76 ALOX5 (0.60) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL4480706 0.76 PTGS1 (0.65) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL4480653 0.76 PTGS1 (0.65) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL2340070 0.76 ALOX5 (0.61) ALOX5AKR1C3AKR1C2KMT2A
SCHEMBL9707478 0.75 ALOX5 (0.59) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL3151507 0.75 PTGS1 (0.63) ALOX5PTGS1PTGS2LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed