SCHEMBL14016992

SCHEMBL14016992

COCc1ccc(C(=O)Oc2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 7/20 0.55
MAPT P10636 4/20 0.55
GFER P55789 1/20 0.55
PRSS1 P07477 1/20 0.55
ACR P10323 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
FFAR1 O14842 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL28641990 0.95 KMT2A (0.50) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL25503616 0.89 SMN1; SMN2 (0.71) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL25503618 0.89 SMN1; SMN2 (0.71) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL24157605 0.87 KMT2A (0.57) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL12199927 0.86 SMN1; SMN2 (0.62) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL26079702 0.86 SMN1; SMN2 (0.62) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16749900 0.86 SMN1; SMN2 (0.62) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8069410 0.86 SMN1; SMN2 (0.62) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL11937089 0.86 SMN1; SMN2 (0.54) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19
SCHEMBL12736330 0.86 TP53 (0.52) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19

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
US-7443900-B2 Laser gain medium for solid state dye lasers BASF AKTIENGESELLSCHAFT (DE) 2008-10-28 US disclosed
US-7252785-B2 Composition of a radiation-absorbing tert-alkylphenoxy-substituted polycyclic ccmpound and a curable IR-reflecting component of achiral nematic polymerizable monomer, a chiral polymerizable monomer, a cholesteric polymerizable monomer, and a cholesteric polymer in a polymerizable diluent BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed
US-7252785-B2 Composition of a radiation-absorbing tert-alkylphenoxy-substituted polycyclic ccmpound and a curable IR-reflecting component of achiral nematic polymerizable monomer, a chiral polymerizable monomer, a cholesteric polymerizable monomer, and a cholesteric polymer in a polymerizable diluent BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed