SCHEMBL4325972

SCHEMBL4325972

CC(Cc1ccc(C(=O)O)cc1)NC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.66
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ADRB1 P08588 3/20 0.54
ADRB3 P13945 3/20 0.54
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.49
ANPEP P15144 1/20 0.49
ENPEP Q07075 1/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL825426 0.88 ACACB (0.83) ACACBLMNA
SCHEMBL4319657 0.85 LOXL2 (0.53) ACACBNPC1RAB9ATDP1
SCHEMBL8729705 0.84 NPC1 (0.58) ACACBNPC1RAB9ALMNATAAR1
SCHEMBL11689625 0.84 NPC1 (0.58) ACACBNPC1RAB9ALMNATAAR1
SCHEMBL255724 0.83 ACACB (0.76) ACACBADRB1ADRB3LMNA
SCHEMBL24609344 0.83 NPC1 (0.79) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL2543698 0.83 NPC1 (0.79) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL27786644 0.82 CYP1A2 (0.58) ACACBNPC1RAB9AALDH1A1LMNA
SCHEMBL23275246 0.82 ACACB (0.63) ACACBNPC1RAB9AALDH1A1LMNA
SCHEMBL164441 0.82 ACACB (0.63) ACACBNPC1RAB9AALDH1A1LMNA

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-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed