SCHEMBL10532006

SCHEMBL10532006

CCCCC[C@H]1CO[C@H](c2ccc(C(=O)Oc3ccc(C#N)c(F)c3)cc2)OC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PRSS1 P07477 2/20 0.35
ACR P10323 2/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR3C2 P08235 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
GRM2 Q14416 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL9840026 1.00 ALDH1A1 (0.36) ALDH1A1HPGDPRSS1ACRCYP11B1
SCHEMBL10777018 0.99 ALDH1A1 (0.37) ALDH1A1HPGDPRSS1ACRCYP11B1
SCHEMBL10775429 0.99 ALDH1A1 (0.37) ALDH1A1HPGDPRSS1ACRCYP11B1
SCHEMBL10775955 0.99 ALDH1A1 (0.37) ALDH1A1HPGDPRSS1ACRCYP11B1
SCHEMBL10778897 0.99 ALDH1A1 (0.37) ALDH1A1HPGDPRSS1ACRCYP11B1
SCHEMBL10776614 0.99 ALDH1A1 (0.37) ALDH1A1HPGDPRSS1ACRCYP11B1
SCHEMBL10775456 0.97 PRSS1 (0.35) ALDH1A1HPGDPRSS1ACRCYP11B1
SCHEMBL10483942 0.94 CYP11B1 (0.35) ALDH1A1HPGDCYP11B1CYP11B2NPC1
SCHEMBL10776672 0.90 CYP11B1 (0.36) ALDH1A1HPGDCYP11B1CYP11B2MAPT
SCHEMBL11099221 0.89 ALDH1A1 (0.36) ALDH1A1HPGDPRSS1ACRMAPT

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-4877547-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed