SCHEMBL7647650

SCHEMBL7647650

CC(C)(C)c1cc[c]c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CNR1 P21554 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCGR P47871 1/20 0.32
NOTUM Q6P988 1/20 0.32
AHR P35869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
CYP19A1 P11511 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
SCHEMBL9600544 0.87 KIF11 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5521594 0.84 TSHR (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5736161 0.83 PTPN5 (0.34) NPC1RAB9ANOTUM
SCHEMBL9600296 0.82 ALDH1A1 (0.31) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL10340202 0.82 PTGDR2 (0.38) NPC1RAB9ANOTUMALDH1A1HSD17B10
SCHEMBL9391139 0.82 KIF11 (0.37) KMT2APOLBCNR1NPC1RAB9A
SCHEMBL9598451 0.82 RXRA (0.42) NPC1RAB9AALDH1A1
SCHEMBL9600261 0.82 KCNH2 (0.36) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL1371629 0.81 KIF11 (0.38) MEN1KMT2ACNR1NPC1RAB9A
SCHEMBL9599515 0.81 PGR (0.38) CNR1NOTUM

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-6352823-B1 PHOTOGRAPHIC MATERIAL COMPRISING SUPPORT WITH SILVER HALIDE EMULSION LAYER CONTAINING COMPLEX IN WHICH ORGANIC COMPOUND HAVING NO ELECTRIC CHARGE WHICH DOESN'T COORDINATE WITH METAL OTHER THAN CENTRAL METAL OCCUPIES MORE THAN HALF OF SITES FUJI PHOTO FILM CO., LTD. (JP) 2002-03-05 US disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed