SCHEMBL9599515

SCHEMBL9599515

CC(C)(C)c1cc[c]c(-c2cccc(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
KIF11 P52732 1/20 0.37
ESR2 Q92731 1/20 0.36
ALOX5 P09917 1/20 0.35
SOS1 Q07889 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
CNR2 P34972 2/20 0.33
IDO1 P14902 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CNR1 P21554 3/20 0.33
P2RX1 P51575 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL7647650 0.81 MEN1 (0.35) CNR1NOTUM
SCHEMBL1371629 0.81 KIF11 (0.38) KIF11CNR2RXRARXRBCNR1
SCHEMBL3022644 0.81 ALOX5 (0.42) ESR2ALOX5SOS1TAAR1IDO1
SCHEMBL9599568 0.81 HSD17B1 (0.41) KIF11RXRARXRB
SCHEMBL9598597 0.78 DYRK1A (0.41) NOTUM
SCHEMBL9598451 0.78 RXRA (0.42) KIF11RXRARXRB
SCHEMBL10658674 0.78 ESR2 (0.42) ESR2ALOX5SOS1TAAR1IDO1
SCHEMBL15067852 0.76 ALDH1A1 (0.39) KIF11
SCHEMBL29024382 0.75 RXRB (0.38) KIF11RXRARXRB
SCHEMBL9600544 0.75 KIF11 (0.41) KIF11NOTUM

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
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed