SCHEMBL8701012

SCHEMBL8701012

CCc1c(C)cccc1-c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
HTR7 P34969 3/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
BRD4 O60885 1/20 0.37
CYP2A6 P11509 2/20 0.36

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
SCHEMBL13473756 0.86 PLA2G7 (0.41) HEXAHEXBKDM4EHSD17B10DPP4
SCHEMBL9717406 0.82 PDCD1 (0.47) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29699190 0.82 PDCD1 (0.47) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL597056 0.82 CYP2A6 (0.45) TSHRACHENOS3NOS2CYP2A6
SCHEMBL197690 0.79 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL598761 0.79 TSHR (0.53) TSHRACHENPC1CASP3RAB9A
SCHEMBL30169568 0.79 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL30354037 0.79 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL8679269 0.79 CXCR5 (0.39) TSHRACHENPC1CASP3RAB9A
SCHEMBL11212389 0.79 NPC1 (0.47) TSHRNPC1RAB9ASMN1; SMN2HTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739071-A Method and apparatus for regeneratinig and stabilizing dehydrogenation catalysts RAYTHEON ENGINEERS & CONSTRUCTORS, INC. (US) 1998-04-14 US claimed
US-5686369-A IRON OXIDE, ALKALI METAL COMPOUND RAYTHEON ENGINEERS & CONSTRUCTORS, INC. (US) 1997-11-11 US claimed
US-4064187-A FERRIC OXIDE, ZINC OXIDE, SODIUM OR POTASSIUM CHROMATE, POTASSIUM CARBONATE, OXIDE OR HYDROXIDE THE DOW CHEMICAL COMPANY (US) 1977-12-20 US disclosed