SCHEMBL9455337

SCHEMBL9455337

CCC(CC)CCCOC(=O)CCCCCCCCC(=O)OCCCC(CC)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
ATM Q13315 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
DGKA P23743 1/20 0.57
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
DNM1 Q05193 1/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MAPT P10636 1/20 0.44
PAM P19021 2/20 0.43
NAAA Q02083 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6243663 0.95 DGKA (0.67) CYP3A4TSHRATMTDP1DGKA
SCHEMBL31620703 0.90 DGKA (0.65) CYP3A4TSHRATMTDP1DGKA
SCHEMBL8431143 0.88 TSHR (0.53) CYP3A4TSHRATMTDP1DGKA
SCHEMBL10423224 0.88 TSHR (0.53) CYP3A4TSHRATMTDP1DGKA
SCHEMBL20960099 0.88 DGKA (0.62) CYP3A4TSHRATMTDP1DGKA
SCHEMBL229572 0.87 CYP3A4 (0.70) CYP3A4TSHRATMTDP1DGKA
SCHEMBL18204387 0.86 DGKA (0.65) CYP3A4TSHRATMTDP1DGKA
SCHEMBL20960163 0.86 DGKA (0.65) CYP3A4TSHRATMTDP1DGKA
SCHEMBL19553630 0.86 DGKA (0.65) CYP3A4TSHRATMTDP1DGKA
SCHEMBL495006 0.85 CYP3A4 (0.50) CYP3A4TSHRATMTDP1DGKA

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-5253461-A Fastener-free roofing system and method TREMCO, INC. (US) 1993-10-19 US claimed
US-5253461-A Fastener-free roofing system and method TREMCO, INC. (US) 1993-10-19 US disclosed