SCHEMBL7559413

SCHEMBL7559413

CC(=CC(C)c1c2ccccc2cc2ccccc12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
GLA P06280 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1B1 P15121 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 4/20 0.37
CYP2C9 P11712 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CDC25B P30305 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35

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
SCHEMBL10974487 0.77 UGT2B7 (0.45) MEN1KMT2ACYP1A2AKR1C3AKR1B1
SCHEMBL10974494 0.77 UGT2B7 (0.45) MEN1KMT2ACYP1A2AKR1C3AKR1B1
SCHEMBL10974490 0.77 UGT2B7 (0.45) MEN1KMT2ACYP1A2AKR1C3AKR1B1
SCHEMBL349596 0.74 TRPA1 (0.56) HPGDAKR1C3APEX1
SCHEMBL1336581 0.74 TRPA1 (0.56) HPGDAKR1C3APEX1
SCHEMBL1497454 0.73 AKR1C3 (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1497453 0.73 AKR1C3 (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1882695 0.73 AKR1B1 (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4354480 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL23527416 0.71 NISCH (0.37) ALDH1A1MEN1KMT2AKDM4EHPGD

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
EP-0808855-B1 Fluorescent polymers and coating compositions ROHM & HAAS (US) 2002-07-17 EP claimed