SCHEMBL8778438

SCHEMBL8778438

CC1=Cc2cccc3cccc(c23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 7/20 0.42
HPGD P15428 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
S100A4 P26447 1/20 0.33
GAA P10253 2/20 0.32
TYMS P04818 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 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
SCHEMBL27524680 0.81 CYP3A4 (0.41) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL27722411 0.79 TSHR (0.52) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL25141341 0.78 MPO (0.34) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL9287372 0.78 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL28796218 0.78 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL27869597 0.78 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL9234941 0.78 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL10612830 0.78 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL22319171 0.78 CYP3A4 (0.50) TSHRCYP3A4ALDH1A1HPGDKDM4E
SCHEMBL28890695 0.77 CYP3A4 (0.45) TSHRCYP3A4ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813560-A2 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-29 EP claimed
WO-1996028491-A1 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-19 WO claimed
CN-103960242-B Noxious organism control agent 明治制果药业株式会社 2017-09-01 CN disclosed
CN-107001286-A The assimilation compound of dihydro-pyrimidin 2 and its medical usage 日本烟草产业株式会社 2017-08-01 CN disclosed
US-9206276-B2 Photosensitive copolymer, photoresist comprising the copolymer, and method of forming an electronic device ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2015-12-08 US disclosed
US-20140242521-A1 PHOTOSENSITIVE COPOLYMER, PHOTORESIST COMPRISING THE COPOLYMER, AND METHOD OF FORMING AN ELECTRONIC DEVICE U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2014-08-28 US disclosed
CN-101671477-B Reversible repair composition, preparation method thereof, varnish composition and self-repairing coating material BYD CO LTD 2012-07-04 CN disclosed
CN-101671477-A Reversible repair composition, preparation method thereof, varnish composition and self-repairing coating material BYD CO LTD 2010-03-17 CN disclosed
EP-0813560-A2 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-29 EP disclosed
WO-1996028491-A1 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-19 WO disclosed