SCHEMBL12532597

SCHEMBL12532597

CCC(C)n1c2cc(C)ccc2c2ccc(C)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ DHFR P00374 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL12018940 0.85 DHFR (0.40) NR1I2HTR2AHTR2CDHFRSLC2A1
SCHEMBL15458646 0.81 RORC (0.43) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL19373828 0.79 NR1I2 (0.51) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL29512032 0.79 PER2 (0.40) HTR2AHTR2C
SCHEMBL13343093 0.79 PER2 (0.40) HTR2AHTR2C
SCHEMBL18404644 0.74 GPR3 (0.44) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL14164189 0.74 GPR3 (0.44) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL127116 0.74 GPR3 (0.44) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL20096974 0.73 NR1I2 (0.47) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL23665475 0.72 NR1I2 (0.39) NR1I2EGFRADRA2AADORA3TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130104987-A1 SOLAR CELL WITH ELECTRON INHIBITING LAYER HONEYWELL INTERNATIONAL INC. (US) 2013-05-02 — — US disclosed
US-20130104987-A1 SOLAR CELL WITH ELECTRON INHIBITING LAYER HONEYWELL INTERNATIONAL INC. (US) 2013-05-02 — — US disclosed
US-7956099-B2 hydroxylation, alkoxylation or oxycarbonylation of polymer surfaces chosen from aromatic polymers, in the form of sheets, knitted materials, tubes such as catheters, strands, nails or screws, balls, prosthetics extra or intraocular lenses ALCHIMER (FR) 2011-06-07 — — US disclosed
US-20080269423-A1 Modification Process For Polymer Surfaces, Notably For Hydroxylation of Polymer Surfaces and Products So Obtained ALCHIMER (FR) 2008-10-30 — — US disclosed
US-20070257604-A1 POLYMERIC COMPOUND AND ORGANIC LUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2007-11-08 — — US disclosed
Send feedback