SCHEMBL7787215

SCHEMBL7787215

C=C(C)C(=O)OC.C=C(C)C(=O)OCC1CO1.C=C(C=C(C)C(=O)O)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7966968 0.92 ALDH1A1 (0.66) ALDH1A1CYP3A4TP53TSHRCYP2D6
Ethylene SCHEMBL29388342 0.86 ALDH1A1 (0.73) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL195064 0.86 ALDH1A1 (0.47) ALDH1A1THRBTSHRCYP2D6CYP2C19
SCHEMBL20975505 0.86 ALDH1A1 (0.63) ALDH1A1CYP3A4TP53
SCHEMBL7970999 0.86 ALDH1A1 (0.61) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL7973814 0.84 ALDH1A1 (0.58) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL10449919 0.84 ALDH1A1 (0.42) ALDH1A1THRBTSHRCYP2D6CYP2C19
Methacrylic Acid SCHEMBL15689003 0.84 ALDH1A1 (0.78) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL502926 0.82 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53THRBTSHR
SCHEMBL908314 0.82 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677778-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 2001-12-05 EP disclosed
US-5582964-A DIMENSIONAL STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-12-10 US disclosed
EP-0677778-A2 Silver halide photographic material and process for the preparation of the same FUJI PHOTO FILM CO., LTD. (JP) 1995-10-18 EP disclosed