SCHEMBL5311010

SCHEMBL5311010

O=C(O)c1ccc(C(O)(c2ccccc2)C(O)(c2ccccc2)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
DAO P14920 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
TP53 P04637 1/20 0.55
SRD5A2 P31213 6/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ALOX15 P16050 1/20 0.50
TRPA1 O75762 1/20 0.48
KIF11 P52732 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL18275136 0.88 SRD5A2 (0.53) TSHRDAONAPRTTP53SRD5A2
SCHEMBL407595 0.86 TSHR (0.56) TSHRDAONAPRTTP53SRD5A2
SCHEMBL20721895 0.84 TSHR (0.59) TSHRDAONAPRTTP53SRD5A2
SCHEMBL18896444 0.84 TSHR (0.59) TSHRDAONAPRTTP53SRD5A2
SCHEMBL28014689 0.83 CYP2C9 (0.64) TSHRDAONAPRTTP53SRD5A2
SCHEMBL7776694 0.80 ESR1 (0.59) TSHRDAONAPRTTP53SRD5A2
SCHEMBL694095 0.80 SRD5A2 (0.59) TSHRDAONAPRTTP53SRD5A2
SCHEMBL13956160 0.80 KCNN4 (0.61) TSHRDAONAPRTTP53SRD5A2
SCHEMBL931931 0.80 TSHR (0.54) TSHRDAONAPRTTP53SRD5A2
SCHEMBL365481 0.80 TSHR (0.54) TSHRDAONAPRTTP53SRD5A2

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
WO-2007048472-A1 HAIR TREATMENT METHOD THAT PROVIDES IMPROVED HAIR CARE AND AGENT FOR CARRYING OUT SAID METHOD HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-03 WO disclosed