SCHEMBL10668802

SCHEMBL10668802

CCCCCCCCCCCCCOc1ccc(C(=O)c2ccc(OCCCCCCCCCCCCC)o2)o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.79
▸ KMT2A Q03164 2/20 0.79
▸ TDP1 Q9NUW8 1/20 0.79
▸ TSHR P16473 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ PLA2G4B P0C869 2/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NR5A1 Q13285 1/20 0.42
▸ RARB P10826 3/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ PLA2G2A P14555 2/20 0.41

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
SCHEMBL10667435 1.00 MEN1 (0.79) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10422665 0.89 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10422505 0.89 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10424272 0.89 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL992112 0.89 MEN1 (1.00) MEN1KMT2ATDP1TSHRTP53
SCHEMBL11561346 0.89 MEN1 (1.00) MEN1KMT2ATDP1TSHRTP53
SCHEMBL11558887 0.89 MEN1 (1.00) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10422671 0.89 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL9060429 0.89 MEN1 (1.00) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10423929 0.89 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53

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-4738984-A SUBSTITUTED 5-OXY-2-FURYL KETONE MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-19 — — US disclosed
US-4602099-A Antirhinovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-22 — — US disclosed
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