SCHEMBL7029708

SCHEMBL7029708

C=C(CCCC(=O)OC1CC2CCC1(C)C2(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
CYP19A1 P11511 2/20 0.50

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
SCHEMBL7258690 0.87 ALDH1A1 (0.63) ALDH1A1LMNACYP19A1
SCHEMBL22615598 0.86 ALDH1A1 (0.56) ALDH1A1LMNACYP19A1
SCHEMBL22619659 0.86 ALDH1A1 (0.56) ALDH1A1LMNACYP19A1
SCHEMBL22615597 0.86 ALDH1A1 (0.56) ALDH1A1LMNACYP19A1
Isobornyl Valerate SCHEMBL1171684 0.84 ALDH1A1 (0.60) ALDH1A1LMNACYP19A1
Isobornyl Valerate SCHEMBL28124714 0.84 ALDH1A1 (0.60) ALDH1A1LMNACYP19A1
Isobornyl Valerate SCHEMBL3504430 0.84 ALDH1A1 (0.60) ALDH1A1LMNACYP19A1
Isobornyl Valerate SCHEMBL28866484 0.84 ALDH1A1 (0.60) ALDH1A1LMNACYP19A1
SCHEMBL4713598 0.84 ALDH1A1 (0.66) ALDH1A1LMNACYP19A1
SCHEMBL29038407 0.84 ALDH1A1 (0.66) ALDH1A1LMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843220-B1 Radiation sensitive resin composition JSR CORP (JP) 2003-02-19 EP claimed