SCHEMBL9035611

SCHEMBL9035611

Clc1ccc(C2(C3CC3)C=Cc3ccc4ccccc4c3O2)s1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.31
HTR2A P28223 2/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL9035725 0.86 HTR2C (0.33) HTR2CHTR2A
SCHEMBL9035491 0.81 SLC6A2 (0.33) HTR2CHTR2A
SCHEMBL9035829 0.79 HTR2C (0.34) HTR2CHTR2ANFKB1NFKB2RELA
SCHEMBL9035449 0.73 NFKB1 (0.41) NFKB1NFKB2RELA
SCHEMBL4625971 0.69 HTR2C (0.36) HTR2CHTR2A
SCHEMBL29756154 0.69 HTR2C (0.34) HTR2CHTR2ANFKB1NFKB2RELA
SCHEMBL4538261 0.69 HTR2C (0.34) HTR2CHTR2ANFKB1NFKB2RELA
SCHEMBL8681014 0.67 ALDH1A1 (0.39) HTR2CHTR2A
SCHEMBL9917550 0.64 HSD17B10 (0.43)
SCHEMBL15196167 0.64 ALDH1A1 (0.37)

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
EP-0540690-B1 PHOTOCHROMIC CHROMENE COMPOUNDS PPG INDUSTRIES INC (US) 1996-05-29 EP disclosed
EP-0540690-A1 PHOTOCHROMIC CHROMENE COMPOUNDS. PPG INDUSTRIES INC (US) 1993-05-12 EP disclosed
US-5200116-A Which experience a reversible change from colorless to orange upon exposure to sunlight PPG INDUSTRIES, INC. (US) 1993-04-06 US disclosed
EP-0540690-A4 PHOTOCHROMIC CHROMENE COMPOUNDS. PPG INDUSTRIES INC (US) 1993-02-12 EP disclosed
WO-1992001959-A1 PHOTOCHROMIC CHROMENE COMPOUNDS PPG INDUSTRIES, INC. (US) 1992-02-06 WO disclosed