SCHEMBL10522502

SCHEMBL10522502

CCCCCCCCCCCCCCCCCCOc1cccc2c(-c3ccccc3)c3cccc(OCCCCCCCCCCCCCCCCCC)c3c(OCCCCCCCCCCCCCCCCCC)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
PTPN11 Q06124 2/20 0.41
HTR1B P28222 2/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
KCNA3 P22001 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL30002666 0.84 CYP1A2 (0.46) CNR1CNR2HTR1BKCNA3MCHR1
SCHEMBL12627506 0.82 CYP2C9 (0.46) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL30003701 0.80 HTR1B (0.40) MEN1KMT2AMAPTCNR1CNR2
SCHEMBL28897589 0.79 MEN1 (0.51) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL7054033 0.79 MEN1 (0.51) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL20678465 0.79 MEN1 (0.51) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL27782966 0.79 MEN1 (0.51) MEN1KMT2ANR1I2LMNACHRM2
Water SCHEMBL28168267 0.77 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL12627501 0.77 MEN1 (0.48) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL6742971 0.77 CYP2C9 (0.45) MEN1KMT2ANR1I2LMNACHRM2

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-4843097-A ANTITUMOR AGENTS, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-06-27 US claimed