SCHEMBL18622070

SCHEMBL18622070

Cc1ccc(N(c2ccc(C)cc2)c2ccc(C(C)c3ccc(CO)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ CHRNA7 P36544 1/20 0.34
▸ ACHE P22303 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5953905 0.87 ALDH1A1 (0.42) CNR2MEN1KMT2AALDH1A1TSHR
SCHEMBL439592 0.87 ALDH1A1 (0.42) CNR2MEN1KMT2AALDH1A1TSHR
SCHEMBL9630229 0.85 CHRNA7 (0.44) CNR2CNR1ESR1PDCD1ESR2
SCHEMBL13234662 0.85 CHRNA7 (0.44) CNR2CNR1ESR1PDCD1ESR2
SCHEMBL14174106 0.82 MAP2K4 (0.41) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL12191271 0.82 HCRTR2 (0.42) CNR2MEN1KMT2AALDH1A1TSHR
SCHEMBL279257 0.82 MAP2K4 (0.41) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL13308617 0.82 MAP2K4 (0.41) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL14173671 0.82 MAP2K4 (0.41) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL7544326 0.81 ESR1 (0.52) ESR1PDCD1ESR2CD274ALOX5

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-9594189-B2 High refractive index cladding material and electro-optical polymer optical waveguide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-03-14 — — US disclosed
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