SCHEMBL4841431

SCHEMBL4841431

BrCCCCCCCCc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
TSHR P16473 2/20 0.50
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RAB9A P51151 3/20 0.39
GLS O94925 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8091833 1.00 TAAR1 (0.57) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL8104697 1.00 TAAR1 (0.57) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL8100975 1.00 TAAR1 (0.57) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL3465372 1.00 TAAR1 (0.57) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL8105148 1.00 TAAR1 (0.57) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL4847564 1.00 TAAR1 (0.57) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL3609572 1.00 TAAR1 (0.57) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL9670131 0.98 TAAR1 (0.55) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL11461413 0.98 TAAR1 (0.55) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1
SCHEMBL317137 0.98 TAAR1 (0.59) TAAR1TSHRNPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7463400-B1 Electrochromic display device FUJI XEROX CO., LTD. (JP) 2008-12-09 US disclosed
US-6284365-B1 FOR CONTROLLING PHYSICAL PROPERTIES OF SURFACE AND INTERFACE OF SOLID ARTICLE SUCH AS WETTABILITY, ADHESIVE PROPERTY, SURFACE ENERGY, DISPERSABILITY, CHEMICAL RESISTANCE FUJI XEROX CO., LTD. (JP) 2001-09-04 US disclosed
US-6166003-A Heterocyclic compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2000-12-26 US disclosed
WO-2000049013-A1 ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS LKT LABORATORIES, INC. (US) 2000-08-24 WO disclosed
EP-0295056-B1 ANTI-INFLAMMATORY FURANONES ALLERGAN, INC (US) 1992-08-05 EP disclosed
US-5134128-A Immunosuppressive and antiproliferative activity for psoriasis and calcium homeostasis ALLERGAN, INC. (US) 1992-07-28 US disclosed
CN-1031839-A ANTI-INFLAMMATORY FURANONES ALLERGAN INC (US) 1989-03-22 CN disclosed
EP-0295056-A1 Anti-inflammatory furanones ALLERGAN, INC (US) 1988-12-14 EP disclosed