SCHEMBL8670930

SCHEMBL8670930

CC(Cc1ccccc1)C(=O)Oc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ELANE P08246 1/20 0.46
LMNA P02545 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MIF P14174 1/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.45
CYP3A4 P08684 2/20 0.44
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43

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
SCHEMBL4197351 0.90 HSD17B10 (0.50) TSHRELANECYP2C19CYP1A2HSD17B10
SCHEMBL16080197 0.83 LMNA (0.54) TSHRLMNASLC6A2SLC6A3MIF
SCHEMBL8268036 0.83 LMNA (0.54) TSHRLMNASLC6A2SLC6A3MIF
SCHEMBL28320251 0.82 FPR2 (0.54) TSHRELANECYP2C19HSD17B10ALDH1A1
SCHEMBL11432413 0.80 NPC1 (0.47) TSHRELANELMNACYP2C19SLC6A2
SCHEMBL4194448 0.80 ESR1 (0.59) LMNACYP2C19CYP1A2PTGS1SLC6A2
SCHEMBL265176 0.78 ALDH1A1 (0.58) TSHRCYP2C19SLC6A2SLC6A3HSD17B10
SCHEMBL97654 0.78 ELANE (0.46) TSHRELANELMNACYP2C19CYP1A2
SCHEMBL12764099 0.78 ALDH1A1 (0.58) TSHRCYP2C19SLC6A2SLC6A3HSD17B10
SCHEMBL10359066 0.78 ELANE (0.46) TSHRELANELMNACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837452-A HEATING CELLS IN SOLUTION CONTAINING NONIONIC SURFACTANT DETERGENT AND CHELATE COMPOUND GEN-PROBE INCORPORATED (US) 1998-11-17 US disclosed
WO-1994028420-A1 METHOD OF DETECTION OF BACTERIA RHONE POULENC DIAGNOSTICS LTD (GB) 1994-12-08 WO disclosed