SCHEMBL31400972

SCHEMBL31400972

Cn1c(-c2ccc(Cl)cc2)cc2cc(C(=O)O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.51
CDH1 P12830 1/20 0.47
APC P25054 1/20 0.47
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
PHGDH O43175 1/20 0.46
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 1/20 0.44
FASN P49327 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CHEK2 O96017 1/20 0.42
MAP4K4 O95819 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
CTRC Q99895 1/20 0.41

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
SCHEMBL3381195 1.00 ACLY (0.51) ACLYCDH1APCCTNNB1TCF7L2
SCHEMBL22004113 0.91 ACLY (0.60) ACLYPHGDHALOX15TSHRKMT2A
SCHEMBL6707155 0.85 MAPT (0.46) ACLYFASNRXFP1KDM4E
SCHEMBL22004304 0.82 ACLY (0.63) ACLYPHGDHKMT2ACYP19A1RXRA
SCHEMBL7799883 0.81 KMT2A (0.50) ACLYPHGDHKMT2ACYP19A1RXFP1
SCHEMBL5789239 0.81 ACLY (0.46) ACLYPHGDHTSHRKMT2AKDM4E
SCHEMBL22004299 0.80 ACLY (0.59) ACLYPHGDHFASNRXFP1
SCHEMBL6928202 0.79 RXFP1 (0.48) ACLYPHGDHKMT2ACYP19A1RXFP1
SCHEMBL28143548 0.79 KDM4E (0.49) PHGDHALOX15TSHRRXFP1KDM4E
SCHEMBL11686956 0.77 KMT2A (0.46) KMT2ACYP19A1RXFP1KDM4E

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
CN-119191978-A Method for synthesizing meta-secondary alkyl substituted aryl carboxylic acid 华南理工大学 2024-12-27 CN disclosed