SCHEMBL6909307

SCHEMBL6909307

CCc1cccc(C(=O)O)c1.[In]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.64
FOLH1 Q04609 3/20 0.63
MRGPRX4 Q96LA9 5/20 0.57
TP53 P04637 2/20 0.57
PKM P14618 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51

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
SCHEMBL30394310 0.98 BCL2 (0.66) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL46935 0.98 BCL2 (0.66) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL6917284 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL6909306 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL6918575 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL6916420 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL27852733 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL6916326 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM
Ammonia Solution, Strong SCHEMBL22042022 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM
SCHEMBL6914951 0.96 BCL2 (0.64) BCL2FOLH1MRGPRX4TP53PKM

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
US-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed