SCHEMBL28099707

SCHEMBL28099707

CCC(O)COS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PARL Q9H300 1/20 0.39
HSD11B1 P28845 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CCR5 P51681 1/20 0.36
TSHR P16473 1/20 0.36
SLC18A3 Q16572 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.35
NPC1 O15118 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
SCHEMBL5471045 0.85 STAT3 (0.43) LMNAGAACYP2C19ALDH1A1
SCHEMBL115398 0.85 STAT3 (0.43) LMNAGAACYP2C19ALDH1A1
SCHEMBL5471050 0.85 STAT3 (0.43) LMNAGAACYP2C19ALDH1A1
SCHEMBL476991 0.84 CYP1A2 (0.41) PSIP1LMNAGAACYP1A2CYP2C19
SCHEMBL780261 0.82 PSIP1 (0.45) PSIP1LMNATDP1PARLHSD11B1
SCHEMBL16044692 0.82 PSIP1 (0.45) PSIP1GAATDP1PARLHSD11B1
SCHEMBL6155388 0.81 MMP12 (0.41) GAACYP1A2CYP2C19TDP1PARL
SCHEMBL5668420 0.81 PSIP1 (0.44) PSIP1LMNATDP1PARLHSD11B1
SCHEMBL6157724 0.81 HSD11B1 (0.44) GAACYP2C19HSD11B1RAB9ASMN1; SMN2
SCHEMBL6155099 0.80 MAPT (0.38) PSIP1GAAHSD11B1HPGDRAB9A

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-105980919-A THERMOSETTING COMPOSITION HAVING PHOTO-ALIGNMENT PROPERTIES, ALIGNMENT LAYER, SUBSTRATE WITH ALIGNMENT LAYER, RETARDATION PLATE AND DEVICE 大日本印刷株式会社 2016-09-28 CN disclosed