SCHEMBL23714588

SCHEMBL23714588

CC(=O)c1ccc2c(c1)[C@](C)(C#N)COC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 5/20 0.36
HSD17B1 P14061 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
AKR1B1 P15121 1/20 0.33
CYP2A6 P11509 1/20 0.33
PGR P06401 1/20 0.33
PDK2 Q15119 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PRKCI P41743 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL30041544 0.89 CA12 (0.38) CA1CA2ALDH1A1RARARARB
SCHEMBL30041233 0.89 CA12 (0.38) CA1CA2ALDH1A1RARARARB
SCHEMBL31396120 0.89 CA12 (0.38) CA1CA2ALDH1A1RARARARB
SCHEMBL23705080 0.89 CA12 (0.38) CA1CA2ALDH1A1RARARARB
SCHEMBL31396317 0.89 CA12 (0.38) CA1CA2ALDH1A1RARARARB
SCHEMBL23704795 0.89 CA12 (0.38) CA1CA2ALDH1A1RARARARB
SCHEMBL23706097 0.89 CA12 (0.38) CA1CA2ALDH1A1RARARARB
SCHEMBL30041183 0.88 KDM1A (0.38) KDM4EALDH1A1
SCHEMBL23714754 0.83 RARA (0.31) RARARARBRARG
SCHEMBL23714665 0.78 OPRM1 (0.30)

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
WO-2021155320-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed