SCHEMBL7932090

SCHEMBL7932090

C=C(C)c1ccc(CCl)cc1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.37
AKT1 P31749 1/20 0.36
BACE1 P56817 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1363368 0.87 TRPA1 (0.42) HSD17B1AKT1BACE1KMT2ATRPA1
SCHEMBL29220434 0.80 GABRP (0.38) HSD17B1AKT1BACE1KMT2ARXRA
SCHEMBL20156583 0.78 FLT1 (0.49) HSD17B1FLT1FLT4KDRKMT2A
SCHEMBL29483331 0.77 HSD17B1 (0.41) HSD17B1KMT2AHTTRXRA
SCHEMBL20262941 0.77 HSD17B1 (0.41) HSD17B1KMT2AHTTRXRA
SCHEMBL20194348 0.76 HSD17B1 (0.33) HSD17B1BACE1KMT2AMAPTHTT
SCHEMBL27005987 0.76 HSD17B1 (0.40) HSD17B1CSNK2A1KMT2AMAPTHTT
SCHEMBL7909295 0.76 HSD17B1 (0.51) HSD17B1CA1CA2KDM4EHTT
SCHEMBL606254 0.74 DHFR (0.42) AKT1BACE1CA1CA2CSNK2A2
Acrylamide SCHEMBL29220423 0.73 GABRP (0.38) BACE1KMT2AMAPT

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-6245862-B1 GOLF BALL COMPRISING COVER AND CORE LAYER, WHEREIN COVER IS FORMED OF COMPOSITION CONSISTING ESSENTIALLY OF AT LEAST ONE IONOMER FORMED FROM THERMOPLASTIC POLYMER HAVING SULFONATE AND/OR PHOSPHONATE MOIETIES ACUSHNET COMPANY 2001-06-12 US disclosed
WO-1999061113-A1 GOLF BALLS COMPRISING SULFONATED OR PHOSPHONATED IONOMERS ACUSHNET COMPANY (US) 1999-12-02 WO disclosed