SCHEMBL10750752

SCHEMBL10750752

CCCCCCCCCC=Cc1ccc(OCCBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.49
▸ NR5A1 Q13285 1/20 0.45
▸ TNNC1 P63316 1/20 0.44
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ ESR1 P03372 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHRNA7 P36544 2/20 0.41
▸ CHRNA10 Q9GZZ6 2/20 0.41
▸ CHRNA9 Q9UGM1 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
SCHEMBL10750748 1.00 AHR (0.49) AHRNR5A1TNNC1MAOAMAOB
SCHEMBL13464287 0.91 NR5A1 (0.54) AHRNR5A1TNNC1MAOAMAOB
SCHEMBL25779977 0.88 AHR (0.49) AHRNR5A1MAOAMAOBABCG2
SCHEMBL15661482 0.84 RELA (0.54) AHRTNNC1MAOBABCG2ESR1
SCHEMBL8619126 0.84 AHR (0.48) AHRNR5A1TNNC1MAOAMAOB
SCHEMBL7239800 0.84 TNNC1 (0.55) AHRNR5A1TNNC1TP53TSHR
SCHEMBL8619129 0.84 AHR (0.48) AHRNR5A1TNNC1MAOAMAOB
SCHEMBL7239797 0.84 TNNC1 (0.55) AHRNR5A1TNNC1TP53TSHR
SCHEMBL31618948 0.82 AHR (0.51) AHRNR5A1TNNC1ABCG2
SCHEMBL28710285 0.81 TNNC1 (0.50) AHRTNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195097-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1987-10-28 — — EP disclosed
US-4699995-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-10-13 — — US disclosed
EP-0142145-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1987-03-04 — — EP disclosed
EP-0195097-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1986-09-24 — — EP disclosed
EP-0142145-A2 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1985-05-22 — — EP disclosed
Send feedback