SCHEMBL5888985

SCHEMBL5888985

C=CCc1sc(C(=O)O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 9/20 0.40
GPR35 Q9HC97 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 6/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL19511558 0.81 GPR35 (0.41) DAOGPR35KDM4EMEN1ALDH1A1
SCHEMBL5888342 0.74 DAO (0.40) DAOGPR35KDM4EMEN1ALDH1A1
SCHEMBL5889044 0.69 DAO (0.32) DAO
SCHEMBL16610036 0.69 DAO (0.46) DAOGPR35KDM4EMEN1ALDH1A1
SCHEMBL17201685 0.67 DAO (0.45) DAOGPR35KDM4EMEN1ALDH1A1
SCHEMBL18701659 0.67 DAO (0.45) DAOGPR35KDM4EMEN1ALDH1A1
SCHEMBL4970408 0.67 DAO (0.45) DAOKDM4EMEN1ALDH1A1MAPT
SCHEMBL18701754 0.66 DAO (0.63) DAOGPR35KDM4EMEN1ALDH1A1
SCHEMBL19511280 0.66 ALDH1A1 (0.44) KDM4EALDH1A1MAPT
SCHEMBL10987003 0.66 MAPK1 (0.39) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214316-B1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INT LTD (CH) 2003-05-07 EP claimed
US-7052742-B1 Five membered-ring compounds and utilization thereof in liquid crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2006-05-30 US disclosed