SCHEMBL10942813

SCHEMBL10942813

CCCCCCCCCCCCCCCC(=O)OC1=C(c2ccccc2)C(=O)CC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SOAT1 P35610 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ POLM Q9NP87 1/20 0.40
▸ POLK Q9UBT6 1/20 0.40
▸ POLL Q9UGP5 1/20 0.40
▸ POLH Q9Y253 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL10951881 0.99 KMT2A (0.40) KMT2ANPSR1SMN1; SMN2SOAT1THRB
SCHEMBL10946309 0.90 KMT2A (0.40) KMT2ANPSR1SMN1; SMN2POLMPOLK
SCHEMBL10948746 0.90 KMT2A (0.40) KMT2ANPSR1SMN1; SMN2POLMPOLK
SCHEMBL10945217 0.90 KMT2A (0.40) KMT2ANPSR1SMN1; SMN2POLMPOLK
SCHEMBL10946604 0.89 GAA (0.39) KMT2ANPSR1SMN1; SMN2POLMPOLK
SCHEMBL10947331 0.88 KMT2A (0.38) KMT2ANPSR1SMN1; SMN2THRBPOLM
SCHEMBL10945418 0.84 KMT2A (0.38) KMT2ANPSR1SMN1; SMN2POLMPOLK
SCHEMBL10948933 0.84 KMT2A (0.37) KMT2ANPSR1SMN1; SMN2POLMPOLK
SCHEMBL10950579 0.84 HPGD (0.41) KMT2ANPSR1SMN1; SMN2POLMPOLK
SCHEMBL10736355 0.82 POLM (0.44) KMT2ASMN1; SMN2POLMPOLKPOLL

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
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
Send feedback