SCHEMBL3720741

SCHEMBL3720741

Cc1cc(OC(C)C)ccc1Oc1ccc2cc(CCN)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
CARM1 Q86X55 3/20 0.34
PRMT6 Q96LA8 3/20 0.34
TAAR5 O14804 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARD Q03181 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 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
SCHEMBL3720743 0.91 CYP1A2 (0.35) FFAR4CYP1A2CYP3A4TSHRNFKB1
SCHEMBL3720649 0.91 GPBAR1 (0.35) CYP1A2CYP3A4TSHRNFKB1KDM4E
SCHEMBL3720774 0.88 GLA (0.43) FFAR4CYP1A2CYP3A4TSHRNFKB1
SCHEMBL3718486 0.88 TSHR (0.37) FFAR4CYP1A2CYP3A4TSHRNFKB1
SCHEMBL3720128 0.88 KDM4E (0.45) FFAR4CYP1A2CYP3A4TSHRNFKB1
SCHEMBL3719835 0.87 FFAR4 (0.36) FFAR4CYP1A2CYP3A4TSHRNFKB1
SCHEMBL3720725 0.87 ACACB (0.38) CYP1A2CYP3A4TSHRNFKB1KDM4E
SCHEMBL3717202 0.86 ACACB (0.38) FFAR4CYP1A2CYP3A4TSHRNFKB1
SCHEMBL3719380 0.85 RXRA (0.37) FFAR4CYP1A2CYP3A4TSHRNFKB1
SCHEMBL3717016 0.85 TSHR (0.37) CYP1A2CYP3A4TSHRNFKB1KDM4E

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed