SCHEMBL13010034

SCHEMBL13010034

CCC(C)(C)C(=O)OCCOC(=O)CCOCCOC(=O)C1CCCC(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.33
▸ HMGCR P04035 3/20 0.33
▸ FKBP1A P62942 7/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ EPHX2 P34913 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL1104039 0.89 BTK (0.40) BTKHMGCRFKBP1AEPHX2
SCHEMBL1104041 0.84 HMGCR (0.36) HMGCRFKBP1ACYP3A4
SCHEMBL1104029 0.76 PPM1B (0.38) HMGCRFKBP1A
SCHEMBL15196707 0.76 FKBP1A (0.37) HMGCRFKBP1ACYP3A4
SCHEMBL10123436 0.76 FKBP1A (0.37) HMGCRFKBP1ACYP3A4
SCHEMBL10123438 0.76 FKBP1A (0.37) HMGCRFKBP1ACYP3A4
SCHEMBL1104080 0.75 ADRB2 (0.46) BTKHMGCRFKBP1A
SCHEMBL13921989 0.75 FKBP1A (0.39) HMGCRFKBP1AALDH1A1CYP3A4CYP2D6
SCHEMBL12919790 0.75 FKBP1A (0.44) HMGCRFKBP1AALDH1A1
SCHEMBL1296887 0.74 EPHX2 (0.47) EPHX2

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
US-20100323284-A1 PIGMENT-DISPERSED COMPOSITION, CURABLE COMPOSITION, COLOR FILTER AND PRODUCTION METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-12-23 — — US disclosed
Send feedback