SCHEMBL4727360

SCHEMBL4727360

COc1c(Br)cc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
GPR35 Q9HC97 1/20 0.47
TPMT P51580 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
RXRA P19793 2/20 0.40
RARG P13631 1/20 0.40
PPARG P37231 1/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
RXRB P28702 2/20 0.40
TSHR P16473 1/20 0.38
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL4725566 0.85 HSD17B10 (0.46) HSD17B10TPMTRXRARARGPPARG
SCHEMBL7786427 0.83 RXRB (0.49) HSD17B10RXRARARGPPARGHPGD
SCHEMBL5665923 0.81 RXRA (0.56) HSD17B10RXRARARGPPARGAKR1C3
SCHEMBL9187455 0.81 RXRB (0.47) HSD17B10RXRARARGPPARGHPGD
SCHEMBL9192206 0.80 RXRA (0.55) HSD17B10RXRARARGPPARGAKR1C3
SCHEMBL1600588 0.80 HSD17B10 (0.44) HSD17B10RXRARARGPPARGHPGD
SCHEMBL1054399 0.80 CA2 (0.48) HSD17B10TPMTHPGDALDH1A1TDP1
SCHEMBL7813490 0.79 HSD17B10 (1.00) HSD17B10GPR35TPMTLCKFYN
SCHEMBL5243236 0.79 HSD17B10 (0.73) HSD17B10GPR35TPMTLCKFYN
SCHEMBL10231144 0.79 AKR1C3 (0.45) HSD17B10RXRARARGPPARGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed