SCHEMBL5854233

SCHEMBL5854233

C/C=C/CCC(CCCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL5854238 1.00 CYP1A2 (0.39) CYP1A2CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5853598 0.90 AOC3 (0.38) CYP1A2CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5853605 0.90 AOC3 (0.38) CYP1A2CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5854697 0.85 POLB (0.39) CYP1A2CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5854693 0.85 POLB (0.39) CYP1A2CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL5852961 0.84 LMNA (0.39) CYP1A2CYP3A4TSHRCYP2D6ALDH1A1
SCHEMBL5852964 0.84 LMNA (0.39) CYP1A2CYP3A4TSHRCYP2D6ALDH1A1
SCHEMBL6682502 0.84 POLB (0.47) POLBALDH1A1KDM4ELMNASIGMAR1
SCHEMBL11301653 0.81 CYP1A2 (0.36) CYP1A2CYP3A4TSHRCYP2C9CYP2C19
SCHEMBL11301651 0.81 CYP1A2 (0.36) CYP1A2CYP3A4TSHRCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed