SCHEMBL9330358

SCHEMBL9330358

CCC1(c2ccccc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.63
SLC6A4 P31645 4/20 0.60
SLC6A2 P23975 3/20 0.60
SLC6A3 Q01959 3/20 0.60
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5853830 0.98 SLC6A4 (0.63) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL21351801 0.96 SLC6A4 (0.61) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL10606137 0.95 DPP4 (0.57) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL15955086 0.91 MAOA (0.60) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL19123555 0.82 SLC6A4 (0.50) DPP4SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL3246807 0.81 TACR1 (0.56) SLC6A4MAOAMAOBTAAR1
SCHEMBL14513169 0.81 ALDH1A1 (0.50) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL2089640 0.81 SLC6A4 (0.59) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL20698849 0.80 SLC6A4 (0.70) DPP4SLC6A4SLC6A2SLC6A3CHRM2
SCHEMBL16029496 0.80 SLC6A3 (0.42) DPP4SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675772-A1 PROCESS FOR PRODUCING CYCLOHEXYLBENZENE ExxonMobil Chemical Patents Inc. (US) 2013-12-25 EP disclosed
WO-2012112203-A1 PROCESS FOR PRODUCING CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-08-23 WO disclosed
EP-0380288-B1 Process for preparing 1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphtalene UNION CAMP CORP (US) 1994-03-30 EP disclosed
US-4877912-A Process for preparing 1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene UNION CAMP CORPORATION (US) 1989-10-31 US disclosed
US-4683033-A COLORLESS PHILLIPS PETROLEUM COMPANY (US) 1987-07-28 US disclosed
US-4599472-A SALT FORMATION, DISTILLATION PHILLIPS PETROLEUM COMPANY (US) 1986-07-08 US disclosed
US-4551573-A ALUMINUM HALIDE AND ELEMENTAL IODINE AS CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-11-05 US disclosed