SCHEMBL8379934

SCHEMBL8379934

CCCCCCCCOc1ccc(-c2cc(-c3ccc(CCCCCCC)cc3)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
CYP19A1 P11511 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CXCR1 P25024 10/20 0.56
SMPD1 P17405 1/20 0.54
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48

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
SCHEMBL2403463 0.91 CYP1A2 (0.69) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL8382725 0.90 RAB9A (0.49) RAB9AMAPTMEN1USP2ALDH1A1
SCHEMBL8381233 0.90 RAB9A (0.49) RAB9AMAPTMEN1USP2ALDH1A1
SCHEMBL8379558 0.90 RAB9A (0.49) RAB9AMAPTMEN1USP2ALDH1A1
SCHEMBL10929143 0.86 CXCR1 (0.66) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL19600983 0.86 CXCR1 (0.73) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL17951705 0.86 CYP1A2 (0.67) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL7339631 0.86 CYP1A2 (0.63) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL17822356 0.84 CYP1A2 (0.60) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1
SCHEMBL18314374 0.83 CYP1A2 (0.70) CYP1A2CYP19A1CYP2C9CYP2C19CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6007739-A FOR DISPLAY OF A CLOCK, A CALCULATOR, A WORD PROCESSOR, A SMALL TV SET; CAN BE DRIVEN AT A HIGH SPEED AT A LOW VOLTAGE SHARP KABUSHIKI KAISHA (JP) 1999-12-28 US disclosed