SCHEMBL30437460

SCHEMBL30437460

CCCCCCCC(C)COC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
MAPT P10636 2/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 4/20 0.53
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 2/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45

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
SCHEMBL18917312 1.00 PRSS1 (0.55) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL28875159 0.94 MAPT (0.56) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL28411160 0.92 MAPT (0.58) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL5373240 0.91 MAPT (0.59) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL17466183 0.88 TDP1 (0.65) MAPTALDH1A1LMNAADRB2ADRB1
SCHEMBL14770230 0.88 MAPT (0.59) MAPTALDH1A1LMNAADRB2ADRB1
SCHEMBL29049879 0.87 LMNA (0.59) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL3680561 0.87 PRSS1 (0.72) PRSS1PRSS2PRSS3ALDH1A1LMNA
SCHEMBL6264048 0.87 PRSS1 (0.68) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL9620202 0.87 PRSS1 (0.72) PRSS1PRSS2PRSS3ALDH1A1LMNA

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-110177783-B Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-06-06 CN disclosed