SCHEMBL12292601

SCHEMBL12292601

BCCCCC(NCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CPB2 Q96IY4 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ TLR2 O60603 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL31661910 0.84 TLR2 (0.55) FOLH1ALDH1A1LMNAMMP2TLR2
SCHEMBL894883 0.83 FOLH1 (0.49) FOLH1ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL895695 0.82 FOLH1 (0.48) FOLH1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10420541 0.82 PPARG (0.49) FOLH1ALDH1A1LMNAMEN1KMT2A
SCHEMBL6566486 0.81 FOLH1 (0.61) FOLH1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1096205 0.79 ALDH1A1 (0.51) FOLH1ALDH1A1LMNAMEN1KMT2A
SCHEMBL28805317 0.79 ALDH1A1 (0.51) FOLH1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11361690 0.78 PPARG (0.52) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL8003721 0.77 ALDH1A1 (0.54) FOLH1ALDH1A1LMNAGRNSORT1
SCHEMBL29213433 0.77 GRN (0.52) FOLH1ALDH1A1LMNAGRNSORT1

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
WO-2018089490-A1 ARGINASE INHIBITOR COMBINATION THERAPIES CALITHERA BIOSCIENCES, INC. (US) 2018-05-17 — — WO disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 — — WO disclosed
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