SCHEMBL23906991

SCHEMBL23906991

CCNC[C@H]1CC[C@H](C)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.56
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL124276 0.89
Hydrochloric Acid SCHEMBL5395476 0.87
Hydrochloric Acid SCHEMBL28865713 0.87 SAT1 (0.62) SAT1TDP1TP53GNAI3GNAO1
SCHEMBL24802680 0.86 SAT1 (0.47) SAT1KMT2ACYP2D6EPHX1
SCHEMBL12161419 0.82 SAT1 (0.58) SAT1TDP1TP53GNAI3GNAO1
SCHEMBL19698519 0.82 SAT1 (0.58) SAT1TDP1TP53GNAI3GNAO1
SCHEMBL24540363 0.81 SAT1 (0.52) SAT1TDP1GNAI3GNAO1GNAI1
SCHEMBL4219407 0.80 SAT1 (0.56) SAT1TDP1TP53GNAI3GNAO1
SCHEMBL21075903 0.80 SAT1 (0.56) SAT1TDP1TP53GNAI3GNAO1
SCHEMBL17778046 0.80 SAT1 (0.56) SAT1TDP1TP53GNAI3GNAO1

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-2021198956-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-10-07 WO disclosed