SCHEMBL9027652

SCHEMBL9027652

CCCCCCOc1ccc(CC(C)(C)[O])cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.54
TP53 P04637 2/20 0.53
TSHR P16473 1/20 0.53
S1PR1 P21453 6/20 0.52
S1PR4 O95977 5/20 0.52
S1PR3 Q99500 5/20 0.52
S1PR5 Q9H228 4/20 0.52
PLA2G4B P0C869 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
HPGD P15428 1/20 0.49
RARB P10826 1/20 0.49

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
SCHEMBL9027655 0.83 NR5A1 (0.59) NR5A1TP53TSHRS1PR1S1PR4
SCHEMBL1908631 0.80 LTA4H (0.50) NR5A1TSHR
SCHEMBL6027401 0.80 NR5A1 (0.51) NR5A1TP53TSHRS1PR1S1PR4
SCHEMBL2829024 0.80 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL10943900 0.80 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL1573968 0.80 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL28373061 0.80 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL5473083 0.80 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL11095674 0.80 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BNPC1
SCHEMBL8936597 0.80 NR5A1 (0.79) NR5A1TP53TSHRPLA2G4BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed