SCHEMBL3261635

SCHEMBL3261635

CCO/C(=C\c1ccc2[nH]c(Cc3ccc4ccccc4c3)cc2c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
FFAR1 O14842 2/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3261637 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL3261286 0.91 F2 (0.46) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL3261283 0.91 F2 (0.46) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL3260257 0.88 F2 (0.39) GAANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3260256 0.88 F2 (0.39) GAANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3261643 0.85 TBXAS1 (0.42) F2FFAR1GABRA1
SCHEMBL3262208 0.78 F2 (0.46) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL3262209 0.78 F2 (0.46) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL3262489 0.77 RAB9A (0.48) RAB9AF2
SCHEMBL3262656 0.74 PPARA (0.48)

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-2010011147-A1 INDOLE COMPOUNDS THIA MEDICA AS (NO) 2010-01-28 WO disclosed