SCHEMBL5178271

SCHEMBL5178271

Oc1cccc(O)c1Cc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HSPA5 P11021 1/20 0.48
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
IDO1 P14902 2/20 0.45
PNMT P11086 1/20 0.45
TAAR1 Q96RJ0 2/20 0.42
PKM P14618 1/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TTR P02766 1/20 0.41
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL7101509 0.83 HSPA5 (0.73) ALDH1A1HSPA5TSHRIDO1PNMT
SCHEMBL22394831 0.77 CXCL8 (0.49) HSP90AA1SMN1; SMN2TTRHPGDCRHBP
SCHEMBL29519238 0.77 IDO1 (0.62) TSHRNPC1RAB9AIDO1PNMT
SCHEMBL672407 0.77 IDO1 (0.62) TSHRNPC1RAB9AIDO1PNMT
SCHEMBL2178053 0.76 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL10891475 0.75 SHBG (0.49) ALDH1A1TSHRPKMHSP90AA1HPGD
SCHEMBL23421776 0.74 IDO1 (0.55) ALDH1A1HSPA5TSHRIDO1PNMT
SCHEMBL4063843 0.74 HSPA5 (0.73) HSPA5TSHRIDO1TAAR1
SCHEMBL8706198 0.74 TAAR1 (0.56) ALDH1A1HSPA5TSHRIDO1PNMT
SCHEMBL11846421 0.74 HSD17B10 (0.50) ALDH1A1HSPA5TSHRNPC1RAB9A

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
CN-101262842-B Foaming topical compositions RECKITT BENCKISER INC 2011-06-29 CN disclosed
CN-101631527-A Topical compositions with suspended particulates RECKITT BENCKISER INC 2010-01-20 CN disclosed
CN-101262842-A Foaming topical compositions RECKITT BENCKISER INC (US) 2008-09-10 CN disclosed
EP-1789017-A2 PHENOLIC ANTISEPTIC COMPOSITIONS AND METHODS OF USE 3M Innovative Properties Company (US) 2007-05-30 EP disclosed
WO-2006029278-A2 PHENOLIC ANTISEPTIC COMPOSITIONS AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed