SCHEMBL11035305

SCHEMBL11035305

O=C1CCCCC1C(=O)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.64
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL29186438 0.95 MCL1 (0.57) MCL1MAPK1HPGDTSHRCES2
SCHEMBL1719455 0.81 MCL1 (0.64) MCL1MAPK1RAB9A
SCHEMBL10192439 0.80 CES2 (0.48) HPGDTSHRSMN1; SMN2CES2CES1
SCHEMBL600072 0.78 MCL1 (1.00) MCL1MAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL3389632 0.78 KDM2B (0.57) HPGDTSHRCES2CES1KDM2B
SCHEMBL11679259 0.76 HPGD (0.57) HPGDTSHRCES2CES1KDM2B
SCHEMBL10885557 0.76 MCL1 (0.82) MCL1MAPK1HPGDLMNASMN1; SMN2
SCHEMBL8144387 0.76 MCL1 (0.70) MCL1MAPK1LMNASMN1; SMN2CES2
SCHEMBL32674514 0.74 KDM2B (0.57) HPGDTSHRCES2CES1KDM2B
SCHEMBL8138263 0.74 MCL1 (0.68) MCL1MAPK1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59113047-A None JP disclosed
JP-S59113047-A STABILIZED CHLORINE-CONTAINING RESIN COMPOSITION AKISHIMA KAGAKU KOGYO KK 1984-06-29 JP disclosed