SCHEMBL21661742

SCHEMBL21661742

CC(=O)CCC1=C(C)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IAPP P10997 1/20 0.32
SLC15A2 Q16348 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
SCHEMBL8951805 0.78 CYP2C19 (0.31)
SCHEMBL3633722 0.75 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL17338414 0.72 S1PR1 (0.33) ALDH1A1
SCHEMBL7769879 0.72 RARB (0.36) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3944531 0.70
SCHEMBL28898279 0.70
SCHEMBL28914492 0.70 RXRA (0.35) ALDH1A1LMNAKDM4ECYP1A2SMN1; SMN2
SCHEMBL15845335 0.69 KMT2A (0.33) ALDH1A1CYP3A4
SCHEMBL31038348 0.69
SCHEMBL441670 0.68 RARB (0.56) ALDH1A1LMNACYP1A2CYP3A4MAPT

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-2020024235-A1 METHODS FOR REDUCING ALDEHYDE EMISSIONS IN POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-02-06 WO disclosed