SCHEMBL11655596

SCHEMBL11655596

CCCCCCCCCC(CCCCCCC)COC(=O)CC(O)C(=O)OCC(CCCCCCC)CCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TLR4 O00206 1/20 0.41

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
SCHEMBL2036656 1.00 RECQL (0.51) RECQLCYP3A4TSHRATMTDP1
SCHEMBL6557496 0.98 RECQL (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL28958333 0.95 RECQL (0.50) RECQLCYP3A4TSHRATMTDP1
SCHEMBL475612 0.87 RECQL (0.67) RECQLCYP3A4TSHRATMTDP1
SCHEMBL28014163 0.87 GPR84 (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL1695574 0.86 GPR84 (0.55) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5074156 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5079130 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5075418 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5079156 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1

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-4078147-A COSMETICS, EMULSIONS, SOAPS, RINSES THE NISSHIN OIL MILLS, LTD. (JA) 1978-03-07 US claimed
US-4078147-A COSMETICS, EMULSIONS, SOAPS, RINSES THE NISSHIN OIL MILLS, LTD. (JA) 1978-03-07 US disclosed