SCHEMBL6283931

SCHEMBL6283931

CCc1cccc(C(C#N)(C(=O)O)C(C#N)(C(=O)O)c2ccccc2)c1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
CLCN2 P51788 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
DPP4 P27487 1/20 0.32
CYP2D6 P10635 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL9436366 0.76 CYP1A2 (0.48) ALDH1A1TSHRMAPTHTTATM
SCHEMBL2230699 0.72 GABRA1 (0.41) GABRA1GABRB2ALDH1A1MAPTCYP2D6
SCHEMBL27845874 0.72 GABRA1 (0.41) GABRA1GABRB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9734276 0.71 ALDH1A1 (0.40) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL8051827 0.71 GABRA1 (0.39) GABRA1GABRB2CLCN2HTTCYP2C19
SCHEMBL7536519 0.71 GABRA1 (0.44) GABRA1GABRB2LMNASMN1; SMN2ALDH1A1
SCHEMBL11014629 0.70 LMNA (0.38) GABRA1GABRB2LMNAALDH1A1MAPT
SCHEMBL28739411 0.70 KMT2A (0.44) SMN1; SMN2ALDH1A1TSHRMAPTCYP2C19
SCHEMBL28818538 0.69 GABRA1 (0.38) GABRA1GABRB2LMNASMN1; SMN2ALDH1A1
SCHEMBL30335199 0.67 KCNN4 (0.44) GABRA1GABRB2ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US claimed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US claimed
US-9056227-B2 Golf ball comprising a core having a shallow hardness gradient ACUSHNET COMPANY (US) 2015-06-16 US disclosed
US-8968117-B2 Dual-core comprising zero gradient center and positive gradient outer core layer ACUSHNET COMPANY (US) 2015-03-03 US disclosed
US-20130109506-A1 GOLF BALL COMPRISING A CORE HAVING A SHALLOW HARDNESS GRADIENT ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-20130109504-A1 DUAL-CORE COMPRISING ZERO GRADIENT CENTER AND POSITIVE GRADIENT OUTER CORE LAYER ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US disclosed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US disclosed