SCHEMBL26852809

SCHEMBL26852809

CC(C)C1(C(C)C)c2ccccc2CCC1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SRD5A1 P18405 1/20 0.36
KDM1A O60341 1/20 0.36
SLC18A3 Q16572 1/20 0.35

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
SCHEMBL7428779 0.80 SIGMAR1 (0.39) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL26304736 0.79 MAPK1 (0.38) MAPK1SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL7858278 0.75 MAPK1 (0.46) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL7852382 0.75 MAPK1 (0.46) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL7852383 0.75 MAPK1 (0.46) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL9515103 0.73 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL11015570 0.72 HTR2A (0.41) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL16341312 0.72 LMNA (0.38) MAPK1SMN1; SMN2
SCHEMBL10446610 0.70 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CHTR2BMAPK1
SCHEMBL22393783 0.69 KDM1A (0.42) SIGMAR1HTR2AMAPK1CHRM5KDM1A

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-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed