SCHEMBL7746427

SCHEMBL7746427

COc1c[c]c(CCCc2ccccc2)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HPGD P15428 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 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
SCHEMBL7429582 0.97 BCHE (0.40) HPGDABCB1ABCG2
SCHEMBL7746382 0.95 TDP1 (0.40) HPGD
SCHEMBL8939765 0.95 TDP1 (0.40) HPGD
SCHEMBL6160386 0.91 ABCB1 (0.44) ABCB1ABCG2
SCHEMBL8827586 0.88 HTR7 (0.40)
SCHEMBL8939736 0.84 TUBB4A (0.50)
SCHEMBL8939769 0.83 LTA4H (0.42) HPGDABCB1ABCG2
SCHEMBL8939791 0.82 APP (0.38) HTR2A
SCHEMBL6567905 0.79 HTR2A (0.41) HTR2A
SCHEMBL8939724 0.78 MAOB (0.44) ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001042245-A1 NEUROTROPHIC BICYCLIC DIAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-14 WO disclosed
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP disclosed
US-6124328-A TREATING NERVE CELLS WITH A NEUROTROPHIC AGENT; PROMOTING REPAIR OF NEURONAL DAMAGE CAUSED BY DISEASE OR PHYSICAL TRAUMA VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-09-26 US disclosed
US-6037370-A TREATING ALZHEIMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, PARKINSON*S DISEASE, AND OTHER NERVOUS SYSTEM DISORDERS WITH PEPTIDE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-03-14 US disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
US-5516797-A SUPPRESSING GRAFT REJECTION VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-05-14 US disclosed
US-5330993-A Immunosuppressive compounds VERTEX PHARMACEUTICALS, INC. (US) 1994-07-19 US disclosed