SCHEMBL9656200

SCHEMBL9656200

CCCCCCOc1cc(O)c2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
HTT P42858 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
SMPD1 P17405 1/20 0.45
ESR1 P03372 2/20 0.44
NR5A1 Q13285 1/20 0.44

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
SCHEMBL9654708 0.98 LMNA (0.44) MEN1KMT2ALMNANR1I2CHRM2
SCHEMBL29700497 0.98 LMNA (0.44) MEN1KMT2ALMNANR1I2CHRM2
SCHEMBL29700322 0.94 KCNH2 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9654902 0.94 KCNH2 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9629330 0.89 MEN1 (0.49) MEN1KMT2ALMNANR1I2CHRM2
SCHEMBL9628492 0.89 MEN1 (0.49) MEN1KMT2ALMNANR1I2CHRM2
SCHEMBL9657777 0.89 LMNA (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL4129980 0.88 MEN1 (0.48) MEN1KMT2ALMNANR1I2CHRM2
SCHEMBL9629502 0.86 MEN1 (0.46) MEN1KMT2ALMNANR1I2CHRM2
SCHEMBL9627600 0.86 MEN1 (0.46) MEN1KMT2ALMNANR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed