SCHEMBL2398894

SCHEMBL2398894

CCN(CC)CCc1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
SCN1A P35498 4/20 0.56
SCN2A Q99250 4/20 0.56
SCN3A Q9NY46 4/20 0.56
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTR1A P08908 2/20 0.45
HPGD P15428 1/20 0.44
CLCN2 P51788 1/20 0.44
HTR6 P50406 1/20 0.44
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC16A3 O15427 2/20 0.43
GAA P10253 1/20 0.42

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
Hydrochloric Acid SCHEMBL11581395 0.98 SCN1A (0.55) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL7717896 0.86 FOLH1 (0.56) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL8947503 0.85 SCN1A (0.52) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL542238 0.85 SCN1A (0.51) SCN1ASCN2ASCN3AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL19834714 0.84 HMGB1 (0.58) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL29155872 0.83 SCN1A (0.44) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL7570929 0.82 FOLH1 (0.50) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL110298 0.82 FOLH1 (0.65) FOLH1ALDH1A1HTR1ACLCN2HTR6
Hydrochloric Acid SCHEMBL7141438 0.81 FOLH1 (0.49) FOLH1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL241263 0.80 FOLH1 (0.66) FOLH1ALDH1A1KDM4EHPGDCLCN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 US claimed
US-9315608-B2 Conjugated diene polymer rubber, and conjugated diene polymer rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20140206811-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-24 US disclosed
US-20110237737-A1 CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 US disclosed
US-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 US disclosed
US-3988371-A Meta-[2-(benzylamino)-ethyl] benzoic acid amides HANSL NIKOLAUS R 1976-10-26 US disclosed