SCHEMBL8792890

SCHEMBL8792890

CC(C)Cc1ccc(C(Cc2cccc(C(=O)O)c2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.52
▸ FOLH1 Q04609 10/20 0.52
▸ PTGS1 P23219 3/20 0.51
▸ PTGS2 P35354 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ AKR1C3 P42330 2/20 0.51
▸ CXCR1 P25024 2/20 0.51
▸ CXCR2 P25025 2/20 0.51
▸ ALB P02768 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ RARB P10826 1/20 0.51
▸ ADRB3 P13945 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ NR1I3 Q14994 1/20 0.51
▸ SLC22A6 Q4U2R8 1/20 0.51
▸ CXCL8 P10145 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL765921 0.89 FOLH1 (0.61) MRGPRX4FOLH1ANPEPENPEP
SCHEMBL8792878 0.89 PTGS1 (0.49) MRGPRX4FOLH1PTGS1PTGS2LMNA
SCHEMBL8793404 0.84 PTGS1 (0.61) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9369195 0.83 SLC7A5 (0.44) MRGPRX4FOLH1PTGS1PTGS2LMNA
SCHEMBL9374242 0.79 PPARA (0.56) MRGPRX4FOLH1PTGS1PTGS2LMNA
SCHEMBL9374304 0.79 MRGPRX4 (0.74) MRGPRX4NFKB1
SCHEMBL16428924 0.79 MRGPRX4 (0.55) MRGPRX4FOLH1ANPEPENPEP
SCHEMBL9854090 0.79 ATM (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9369316 0.78 MEP1B (0.50) FOLH1ALOX5ANPEPENPEP
SCHEMBL9368032 0.78 PTGS1 (0.47) MRGPRX4FOLH1PTGS1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458207-B1 Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-03-26 — — EP disclosed
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 — — EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 — — US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 — — US disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 — — WO disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 — — EP disclosed
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