SCHEMBL22639629

SCHEMBL22639629

CCCCCC(C)c1ccc(COC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ LMNA P02545 5/20 0.53
▸ CYP1A2 P05177 4/20 0.53
▸ TSHR P16473 4/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ MAOA P21397 2/20 0.48
▸ CYP2D6 P10635 3/20 0.47
▸ SCN1A P35498 2/20 0.47
▸ SCN2A Q99250 2/20 0.47
▸ SCN3A Q9NY46 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ HTR1A P08908 1/20 0.47

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
SCHEMBL21023184 0.84 LMNA (0.52) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL21480375 0.84 ALDH1A1 (0.48) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL20178549 0.80 CA1 (0.50) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL22639639 0.80 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL17027826 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2AMEN1HPGD
SCHEMBL17027832 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2AMEN1HPGD
SCHEMBL17027725 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2AMEN1HPGD
SCHEMBL17027708 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4KMT2AMEN1HPGD
SCHEMBL6653952 0.79 KMT2A (0.59) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL18868430 0.78 KMT2A (0.71) MAPTALDH1A1NPC1RAB9ALMNA

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-10829710-B2 Slipperiness-imparting agent and slipperiness-imparting method NOF CORPORATION (JP) 2020-11-10 — — US disclosed
Send feedback