SCHEMBL24928510

SCHEMBL24928510

O=C1CCCCN1c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
AKR1C3 P42330 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 2/20 0.36
PPOX P50336 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PARP1 P09874 2/20 0.35
ALDH1A3 P47895 1/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL20103161 0.83 HPGD (0.43) HSD17B10AKR1C3ALDH1A1POLBPPOX
SCHEMBL11181693 0.82 HSD17B10 (0.53) HSD17B10AKR1C3ALDH1A1POLBMEN1
SCHEMBL22816934 0.80 ALDH1A1 (0.60) HSD17B10ALDH1A1POLBMEN1TSHR
SCHEMBL22816936 0.78 HSD17B10 (0.42) HSD17B10AKR1C3ALDH1A1POLBMEN1
SCHEMBL8305486 0.78 HSD17B10 (0.45) HSD17B10AKR1C3ALDH1A1POLBMEN1
SCHEMBL20103445 0.77 P2RX7 (0.52) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL4480763 0.76 SRD5A1 (0.42) HSD17B10AKR1C3ALDH1A1POLBMEN1
SCHEMBL20103130 0.75 ADRA1A (0.48) HSD17B10AKR1C3ALDH1A1POLBTSHR
SCHEMBL2193401 0.75 KMT2A (0.47) HSD17B10ALDH1A1POLBMEN1KMT2A
SCHEMBL1479409 0.75 ALDH1A1 (0.55) HSD17B10ALDH1A1POLBTSHRKDM4E

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-2023008644-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME (주)피엔에이치테크 2023-02-02 WO disclosed