SCHEMBL11577944

SCHEMBL11577944

CC(C)CN(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
AOC3 Q16853 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FPR1 P21462 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
MCL1 Q07820 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL26002686 0.83 TAAR1 (0.47) TAAR1AOC3ALDH1A1TP53LMNA
SCHEMBL9504670 0.83 TAAR1 (0.44) TAAR1AOC3ALDH1A1TP53LMNA
SCHEMBL26002714 0.79 TAAR1 (0.45) TAAR1AOC3ALDH1A1TP53LMNA
SCHEMBL2398343 0.79 TAAR1 (0.47) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL23319704 0.77 TAAR1 (0.46) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL94693 0.77 TAAR1 (0.46) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL317239 0.77 TAAR1 (0.46) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11303529 0.77 TAAR1 (0.40) TAAR1AOC3ALDH1A1TP53LMNA
SCHEMBL11481477 0.77 SLC6A2 (0.42) TAAR1AOC3ALDH1A1TP53LMNA
SCHEMBL12777294 0.77 TAAR1 (0.40) TAAR1AOC3ALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394052-B1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2021-07-28 EP disclosed
WO-2017108282-A1 BICYCLIC HYDROXAMIC ACIDS USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2017-06-29 WO disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed