SCHEMBL10068720

SCHEMBL10068720

CCOc1cc(C(=O)OC)cc(C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.53
CREBBP Q92793 3/20 0.53
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
ADRB2 P07550 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.41
FADS1 O60427 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL10068770 0.90 FAAH (0.44) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10068557 0.89 BRD4 (0.42) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10068778 0.89 HPGD (0.43) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10069315 0.88 ADRB1 (0.43) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10068957 0.88 HPGD (0.42) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10068544 0.87 ADRB1 (0.43) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10069563 0.86 ADRB2 (0.47) ADRB1ADRB3ADRB2ALDH1A1MAPT
SCHEMBL10068804 0.86 F2 (0.43) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10068568 0.84 SMN1; SMN2 (0.45) BRD4CREBBPADRB1ADRB3ADRB2
SCHEMBL10068540 0.83 ADRB3 (0.45) ADRB1ADRB3ADRB2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102958912-B Benzohydrol derivatives, a preparation process and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-01-14 CN disclosed
CN-102372653-A Diphenyl methanol derivative, preparation method thereof and application of diphenyl methanol derivative in medicine JIANGSU HENGRUI MEDICINE CO 2012-03-14 CN disclosed
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed