SCHEMBL7559407

SCHEMBL7559407

C=C(C(=O)O)C(C)c1cc2ccccc2c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.38
TRPM4 Q8TD43 1/20 0.38
LMNA P02545 1/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 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
SCHEMBL15641308 0.83 AKR1B1 (0.53) AKR1B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL15641309 0.83 AKR1B1 (0.53) AKR1B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL18832089 0.81 PTGER4 (0.45) ALDH1A1HPGDCYP1A2CYP2C19LMNA
SCHEMBL4354480 0.81 ALDH1A1 (0.46) AKR1B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL15695559 0.80 ALDH1A1 (0.46) AKR1B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL600007 0.74 AKR1B1 (0.47) AKR1B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL16033860 0.72 TRPM4 (0.48) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL25059970 0.72 TRPM4 (0.46) ALDH1A1HPGDCYP1A2HSD17B10MAPT
SCHEMBL29272525 0.71 MEN1 (0.44) AKR1B1ALDH1A1MEN1KMT2AHPGD
SCHEMBL600006 0.71 TACR3 (0.43) AKR1B1ALDH1A1MEN1KMT2AHPGD

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
EP-0808855-B1 Fluorescent polymers and coating compositions ROHM & HAAS (US) 2002-07-17 EP claimed