SCHEMBL8389678

SCHEMBL8389678

Cc1cc(C(c2ccc(CC(C)C)cc2)c2cc(C)c(N)cc2C)c(C)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.41
▸ PTGS1 P23219 4/20 0.39
▸ PTGS2 P35354 4/20 0.39
▸ CXCR1 P25024 3/20 0.39
▸ CXCR2 P25025 3/20 0.39
▸ ALOX5 P09917 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALB P02768 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ NR1I3 Q14994 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39

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
SCHEMBL8130850 0.76 CYP3A4 (0.43) CYP2C9TSHRCYP3A4MAPK1
SCHEMBL10478429 0.74 APAF1 (0.44) TSHRCYP3A4MAPK1
Dimethylamine SCHEMBL10775328 0.72 CYP3A4 (0.39) CYP2C9TSHRHTR2ACYP3A4MAPK1
SCHEMBL11511762 0.72 SKP2 (0.53) EPHX1PTGS1PTGS2CXCR1CXCR2
SCHEMBL19840416 0.67 CYP3A4 (0.55) LMNATSHRCYP3A4MAPK1
SCHEMBL10492808 0.67 MEN1 (0.43) PTGS1PTGS2ALOX5AKR1C3TSHR
SCHEMBL19806863 0.67 ESR1 (0.47) EPHX1PTGS1PTGS2CXCR1CXCR2
SCHEMBL10492799 0.67 EPHX1 (0.42) EPHX1PTGS1PTGS2CXCR1CXCR2
SCHEMBL6572888 0.66 ALDH1A1 (0.61) TSHRCYP3A4MAPK1
SCHEMBL1131597 0.66 PTGS1 (0.56) EPHX1PTGS1PTGS2CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614934-B1 Colored resin, colored molded resin member and color filter ORIENT CHEMICAL IND (JP) 1999-04-28 — — EP disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 — — US disclosed
EP-0490253-B1 Magenta toner for developing electrostatic images ORIENT CHEMICAL IND (JP) 1996-03-06 — — EP disclosed
EP-0614934-A1 Colored resin, colored molded resin member and color filter ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 — — EP disclosed
US-5254420-A Disazo dye ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 — — US disclosed
EP-0490253-A2 Magenta toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-17 — — EP disclosed
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