SCHEMBL10701933

SCHEMBL10701933

CCCCCc1ccc(-c2ccc(-c3nccc(CC(C)CC)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SPHK1 Q9NYA1 6/20 0.42
▸ SPHK2 Q9NRA0 5/20 0.42
▸ RARB P10826 7/20 0.42
▸ RARA P10276 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL9357135 0.79 RAB9A (0.59) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL19674984 0.78 RARB (0.51) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL9357374 0.76 MEN1 (0.43) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL9357256 0.76 RARB (0.49) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL10340464 0.76 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL10340532 0.76 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL10701895 0.75 RAB9A (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL9357106 0.75 RAB9A (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL9817441 0.74 HRH3 (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL9817600 0.74 HRH3 (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A

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-0289270-A1 Optically active 2-biphenylpyrimidine derivatives and liquid crystal compositions containing them Chisso Corporation (JP) 1988-11-02 — — EP disclosed
Send feedback