SCHEMBL11026652

SCHEMBL11026652

C=CCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
BRD4 O60885 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.45
TOP1 P11387 3/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 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
SCHEMBL10330795 0.85 KMT2A (0.65) KMT2AALDH1A1DRD3LMNAHPGD
SCHEMBL11401440 0.84 KMT2A (0.84) KMT2AALDH1A1LMNAHPGDPOLB
SCHEMBL29548224 0.84 DRD3 (0.63) KMT2AALDH1A1DRD3LMNAHPGD
SCHEMBL10658569 0.84 ALDH1A1 (0.63) KMT2AALDH1A1DRD3LMNAHPGD
SCHEMBL3809668 0.84 DRD3 (0.63) KMT2AALDH1A1DRD3LMNAHPGD
SCHEMBL541724 0.82 DRD3 (0.61) KMT2AALDH1A1DRD3LMNAHPGD
SCHEMBL6214038 0.82 ALDH1A1 (0.53) KMT2AALDH1A1DRD3LMNAHPGD
Hydrochloric Acid SCHEMBL28333431 0.82 DRD3 (0.61) KMT2AALDH1A1DRD3LMNAHPGD
SCHEMBL541723 0.82 DRD3 (0.61) KMT2AALDH1A1DRD3LMNAHPGD
SCHEMBL11395674 0.82 ALDH1A1 (0.39) KMT2AALDH1A1DRD3LMNAHPGD

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-4448962-A BACTERICIDES KYORIN SEIYAKU KABUSHIKI KAISHA 1984-05-15 US disclosed
US-4292317-A BACTERICIDES FOR GRAM NEGATIVE AND -POSITIVE BACTERIA; ANIMAL GROWTH REGULATORS LABORATORIE ROGER BELLON (FR) 1981-09-29 US disclosed