SCHEMBL9767801

SCHEMBL9767801

OC1C(O)(Cc2ccccc2)C(O)(Cc2ccccc2)C(O)(Cc2ccccc2)C(O)(Cc2ccccc2)C1(O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
KDM1A O60341 6/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.34
GRIN2B Q13224 1/20 0.34
OPRL1 P41146 2/20 0.33
HSD11B1 P28845 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
RCOR1 Q9UKL0 2/20 0.33

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
SCHEMBL6922576 1.00 MAOA (0.38) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL9767803 1.00 MAOA (0.38) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL9053809 0.88 ALDH1A1 (0.40) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL10375420 0.84 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10373806 0.81 LMNA (0.33) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL9053489 0.80 HPGD (0.36) LMNATSHR
SCHEMBL9767846 0.73 ALDH1A1 (0.36) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL9457376 0.73 ALDH1A1 (0.36) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL9767847 0.73 ALDH1A1 (0.36) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL9439683 0.73 ALDH1A1 (0.36) MAOAMAOBKDM1AALDH1A1LMNA

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-5026898-A Cell process controllers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 US disclosed
US-4924023-A MEDICINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4873355-A Process for regioselectively preparing phosphorylated inositols and other cyclitols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-10 US disclosed