SCHEMBL21886501

SCHEMBL21886501

Cc1ccc(C)c(-c2ccc3ccc(C(C)C)cc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CYP1A2 P05177 2/20 0.40
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
AR P10275 6/20 0.37
ESR1 P03372 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.35
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RECQL P46063 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL13870905 0.79 CYP1A2 (0.41) LMNACYP1A2ARMAPTMEN1
SCHEMBL12319823 0.78 AR (0.57) LMNACYP1A2ARMAPTMEN1
SCHEMBL4434489 0.76 RAB9A (0.40) LMNACYP1A2TRPA1PTGS1CACNA1C
SCHEMBL13870934 0.74 PDGFRB (0.43) CYP1A2MAPTMEN1KMT2AALDH1A1
SCHEMBL13989400 0.74 CYP1A2 (0.52) CYP1A2ARESR1MAPTKMT2A
SCHEMBL30273432 0.72 ESR1 (0.54) LMNACYP1A2ARESR1MAPT
SCHEMBL13989422 0.72 ESR1 (0.54) LMNACYP1A2ARESR1MAPT
SCHEMBL13989405 0.72 CYP1A2 (0.53) LMNACYP1A2ARESR1MAPT
SCHEMBL13870959 0.72 KMT2A (0.43) CYP1A2ESR1MAPTMEN1KMT2A
SCHEMBL26675645 0.71 DHODH (0.48) LMNACYP1A2ARMAPTMEN1

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-3632921-A1 ANCILLARY LIGANDS FOR ORGANOMETALLIC COMPLEXES Universal Display Corporation (US) 2020-04-08 EP disclosed