SCHEMBL11271492

SCHEMBL11271492

CCC(C)c1ccc(Cc2ccc(C(C)CC)c(O)c2C(C)CC)c(C(C)CC)c1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RORC P51449 1/20 0.39
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7262436 0.79 TSHR (0.47) TSHRRORCGABRA1GABRB2USP2
SCHEMBL21767240 0.74 TSHR (0.54) TSHRRORCGABRA1GABRB2USP2
SCHEMBL10997664 0.73 TSHR (0.53) TSHRRORCGABRA1GABRB2USP2
SCHEMBL11682514 0.73 TSHR (0.50) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL2382143 0.72 TSHR (0.57) TSHRRORCGABRA1GABRB2USP2
SCHEMBL9643710 0.72 TSHR (0.47) TSHRRORCGABRA1GABRB2USP2
SCHEMBL561299 0.71 TSHR (0.68) TSHRRORCGABRA1GABRB2USP2
SCHEMBL202738 0.71 TSHR (0.68) TSHRRORCGABRA1GABRB2USP2
SCHEMBL560318 0.71 TSHR (0.68) TSHRRORCGABRA1GABRB2USP2
SCHEMBL560346 0.71 TSHR (0.68) TSHRRORCGABRA1GABRB2USP2

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-4314962-A DIHYDROXYBENZENE OR BISPHENOL CHAIN EXTENDERS ETHYL CORPORATION (US) 1982-02-09 US disclosed