SCHEMBL8465485

SCHEMBL8465485

COc1ccc(CC[CH]Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
MAOB P27338 2/20 0.50
CALM1 P0DP23 2/20 0.50
AOC3 Q16853 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDO1 P14902 1/20 0.48
F2RL1 P55085 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47

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
SCHEMBL3085735 0.81 TAAR1 (0.57) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL834551 0.79 TAAR1 (0.73) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL911097 0.79 TAAR1 (0.55) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL10948194 0.79 TAAR1 (0.55) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL4905134 0.79 ALDH1A1 (0.64) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL8474430 0.78 ALDH1A1 (0.63) TAAR1CALM1SIGMAR1ALDH1A1ALOX15
SCHEMBL9005282 0.78 TAAR1 (0.53) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL9154468 0.78 TAAR1 (0.53) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL9005279 0.78 TAAR1 (0.53) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL21064779 0.76 ALDH1A1 (0.55) TAAR1MAOBCALM1AOC3SIGMAR1

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
US-5886043-A ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS BAYER CORPORATION (US) 1999-03-23 US claimed
US-5886022-A TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5861428-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, INFLAMMATION, OSTEOPENIAS, TEMPERO BAYER CORPORATION (US) 1999-01-19 US disclosed
US-5861427-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, CONDITIONS LEADING TO INFLAMMATORY BAYER HEALTHCARE LLC 1999-01-19 US disclosed
US-5859047-A ANTIARTHRITIC AGENTS, NERVOUS SYSTEM DISORDERS BAYER CORPORATION (US) 1999-01-12 US disclosed