SCHEMBL8541979

SCHEMBL8541979

CCCCCCCCC=CCCCCCCCCNC(=O)CCCCCC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.72
SLC6A5 Q9Y345 2/20 0.70
KDM4E B2RXH2 1/20 0.63
LPAR1 Q92633 1/20 0.63
CNR1 P21554 4/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
TRPV1 Q8NER1 1/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
ALOX12 P18054 1/20 0.62
BLM P54132 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL8541977 1.00 EPHX2 (0.72) EPHX2SLC6A5KDM4ELPAR1CNR1
SCHEMBL12201222 0.91 EPHX2 (0.67) EPHX2SLC6A5KDM4ELPAR1CNR1
SCHEMBL24910060 0.91 CASP2 (0.65) EPHX2SLC6A5ALDH1A1MEN1MAPT
SCHEMBL24489957 0.91 CASP2 (0.65) EPHX2SLC6A5ALDH1A1MEN1MAPT
SCHEMBL22664244 0.91 CASP2 (0.65) EPHX2SLC6A5ALDH1A1MEN1MAPT
SCHEMBL24132894 0.91 CASP2 (0.65) EPHX2SLC6A5ALDH1A1MEN1MAPT
SCHEMBL10798712 0.91 CASP2 (0.65) EPHX2SLC6A5ALDH1A1MEN1MAPT
SCHEMBL10798719 0.91 CASP2 (0.65) EPHX2SLC6A5ALDH1A1MEN1MAPT
SCHEMBL25334864 0.89 EPHX2 (0.88) EPHX2SLC6A5KDM4ELPAR1CNR1
SCHEMBL20987095 0.89 EPHX2 (0.88) EPHX2SLC6A5KDM4ELPAR1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780400-A CYCLOHEXANEDIMETHANOL ESTER DERIVATIVES DOVER CHEMICAL CORP. (US) 1998-07-14 US disclosed
US-4626429-A Conditioning of hair with amides of trialkylacetic acids COLGATE-PALMOLIVE COMPANY (US) 1986-12-02 US disclosed