SCHEMBL28954502

SCHEMBL28954502

CC(C)CCc1cc(N(C)C)ccc1C(=O)O.CCCCOC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ESR1 P03372 2/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 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
SCHEMBL28683990 0.88 TSHR (0.46) ALDH1A1LMNACYP3A4HSD17B10MEN1
SCHEMBL5685878 0.84 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4HSD17B10MEN1
SCHEMBL339042 0.82 MCL1 (0.41) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
Padimate A SCHEMBL9452542 0.82 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4HSD17B10MEN1
SCHEMBL7750614 0.81 SIRT2 (0.47) ALDH1A1LMNACYP3A4HSD17B10MEN1
SCHEMBL29262318 0.79 KMT2A (0.40) ALDH1A1HSD17B10MEN1KMT2ATSHR
Padimate O SCHEMBL7208158 0.79 ALDH1A1 (0.70) ALDH1A1LMNACYP3A4HSD17B10TSHR
SCHEMBL384494 0.78 ALDH1A1 (0.54) ALDH1A1LMNACYP3A4HSD17B10CYP1A2
SCHEMBL357704 0.78 LMNA (0.68) ALDH1A1LMNACYP3A4HSD17B10CYP1A2
SCHEMBL29150531 0.78 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4HSD17B10TSHR

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
CN-115542668-A Photosensitive resin composition 东京应化工业株式会社 2022-12-30 CN disclosed