SCHEMBL5852706

SCHEMBL5852706

C/C=C/CCCCC(CC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 2/20 0.36
CCR5 P51681 1/20 0.36
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
TSHR P16473 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34

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
SCHEMBL5852712 1.00 NR1I2 (0.38) NR1I2SIGMAR1LMNACCR5CYP1A2
SCHEMBL5853738 0.95 LMNA (0.37) NR1I2SIGMAR1LMNACCR5CYP1A2
SCHEMBL5853744 0.95 LMNA (0.37) NR1I2SIGMAR1LMNACCR5CYP1A2
SCHEMBL5852964 0.88 LMNA (0.39) SIGMAR1LMNACCR5CYP1A2CYP3A4
SCHEMBL5852961 0.88 LMNA (0.39) SIGMAR1LMNACCR5CYP1A2CYP3A4
SCHEMBL17183657 0.81 NR1I2 (0.39) NR1I2SIGMAR1LMNACCR5TSHR
SCHEMBL5854233 0.80 CYP1A2 (0.39) SIGMAR1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL17183783 0.80 NR1I2 (0.41) NR1I2SIGMAR1LMNACCR5TSHR
SCHEMBL17183652 0.80 NR1I2 (0.41) NR1I2SIGMAR1LMNACCR5TSHR
SCHEMBL5854238 0.80 CYP1A2 (0.39) SIGMAR1LMNACYP1A2CYP3A4CYP2C9

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