SCHEMBL9511234

SCHEMBL9511234

C=CCOC(C)CCC(C)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 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
SCHEMBL9511112 0.88 MAPT (0.37) TDP1CA1CA2CA7CYP3A4
SCHEMBL9508704 0.88 CYP3A4 (0.35) TDP1CA1CA2CA7CYP3A4
SCHEMBL9511222 0.86 MAPT (0.39) TDP1CYP3A4MAPTCYP2C9
SCHEMBL9511261 0.86 MAPT (0.39) TDP1CYP3A4MAPTCYP2C9
SCHEMBL15668409 0.82 CA1 (0.34) TDP1CA1CA2CA7
SCHEMBL27032327 0.80
SCHEMBL8058125 0.80
SCHEMBL32668879 0.80
SCHEMBL27032271 0.79 HSD17B10 (0.44) TDP1CA1CA2CA7
SCHEMBL27130526 0.79 HSD17B10 (0.44) TDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed
US-4025641-A INSECTICIDES, ACARICIDES SANDOZ LTD. (CH) 1977-05-24 US disclosed