SCHEMBL4100020

SCHEMBL4100020

C1=CC2CC1C1CC=C(c3ccc(-c4ccccc4)cc3)C21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 3/20 0.33
MAOB P27338 1/20 0.33
ALPG P10696 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4105713 0.97 ALDH1A1 (0.36) ALDH1A1TSHRSMN1; SMN2ALPGMEN1
Biphenyl SCHEMBL9246146 0.67 ALDH1A1 (0.70) ALDH1A1TSHRSMN1; SMN2KDM1AMAOB
SCHEMBL9063836 0.65 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL222067 0.65 TSHR (0.36) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL4102173 0.65 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL4099322 0.65 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2CYP3A4TDP1
SCHEMBL17421924 0.64 ALDH1A1 (0.36) ALDH1A1KDM1AMAOBCYP3A4HSD17B10
Biphenyl SCHEMBL27923051 0.64 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2KDM1AMAOB
SCHEMBL5512058 0.63 POLB (0.65) ALDH1A1TSHRSMN1; SMN2ALPGCYP3A4
SCHEMBL1673336 0.63 ALDH1A1 (0.40) ALDH1A1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209705-A1 THERMOPLASTIC RESIN COMPOSITION, OPTICAL FILM AND RETARDATION FILM JSR CORPORATION (JP) 2009-08-20 US disclosed
US-7449532-B2 Cycloolefin copolymer obtained by ring-opening polymerization, use thereof, and process for producing retardation plate comprising the copolymer JSR CORPORATION (JP) 2008-11-11 US disclosed
US-20070179264-A1 Copolymer of 8-methyl-8-methoxycarbonyltetracyclo[4.4.0.12,5.17,10]-3-dodecene or derivative with tricyclo[4.3.0.12,5]deca-3,7-diene or derivative; can be stretched even at low temperature around the glass transition temperature without causing cloudiness; excellent heat resistance and optical properties JSR CORPORATION (JP) 2007-08-02 US disclosed
EP-1795559-A1 THERMOPLASTIC RESIN COMPOSITION, OPTICAL FILM AND RETARDATION FILM JSR Corporation (JP) 2007-06-13 EP disclosed