SCHEMBL7901001

SCHEMBL7901001

COC(=O)CC1OC(=O)Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 3/20 0.39
THRB P10828 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
LMNA P02545 3/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7403362 0.78 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2EGFRKDM4E
SCHEMBL7403091 0.77 LMNA (0.59) TSHRALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL10734798 0.76 HDAC4 (0.47) EGFRHDAC4HDAC7HDAC5MTNR1A
SCHEMBL7961617 0.76 GAA (0.40) TSHRALDH1A1SMN1; SMN2USP2GAA
SCHEMBL7900998 0.72 ALDH1A1 (0.39) TSHRALDH1A1KDM4ETHRBCYP1A2
SCHEMBL28132958 0.70 HPGD (0.50) TSHRALDH1A1SMN1; SMN2EGFRKDM4E
SCHEMBL15715850 0.70 MTNR1A (0.49) EGFRMTNR1AMTNR1B
SCHEMBL7400068 0.69 EGFR (0.44) TSHRALDH1A1SMN1; SMN2EGFRUSP2
SCHEMBL2690138 0.69 ANPEP (0.44) ALDH1A1KDM4ETHRBCYP1A2HDAC4
SCHEMBL8168722 0.69 EGFR (0.48) ALDH1A1EGFRGAACYP1A2CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184390-B1 Catalyst for bisalkoxycarbonylation of olefins, and method for production of succinate derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-06 US disclosed
US-6159891-A Catalyst for bisalkoxycarbonylation of olefins, and method for production of succinate derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed