SCHEMBL8914159

SCHEMBL8914159

NC(=O)CC1(C(=O)O)CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.68
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CPB2 Q96IY4 6/20 0.34
TBXAS1 P24557 2/20 0.34
MME P08473 2/20 0.33

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
SCHEMBL27585847 0.98 CYP2C19 (0.64) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL4455482 0.84 CYP2C19 (0.46) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL2230229 0.81 CYP2C19 (1.00) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL11178186 0.81 CYP2C19 (1.00) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL8181259 0.81 CYP2C19 (1.00) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL7442801 0.78 CYP2C19 (0.42) CYP2C19
SCHEMBL3385172 0.78 CYP2C19 (0.95) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL11383971 0.77 CYP2C19 (0.68) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL13068684 0.77 CYP2C19 (0.61) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL20000115 0.77 CYP2C19 (0.61) CYP2C19USP2ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9241227-A None JP disclosed
JP-H09241227-A NEW OPTICAL RESOLUTION AGENT AJINOMOTO CO INC 1997-09-16 JP disclosed