SCHEMBL9762628

SCHEMBL9762628

COc1cc(CCCCOCCCCCCBr)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
PTPN1 P18031 2/20 0.52
CALM1 P0DP23 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ALOX5 P09917 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1A P08908 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49

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
SCHEMBL17046502 0.93 TAAR1 (0.63) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL258149 0.93 TAAR1 (0.63) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL3245187 0.91 TAAR1 (0.65) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL3239644 0.87 TAAR1 (0.67) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL10414770 0.87 TAAR1 (0.67) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402276 0.86 TAAR1 (0.58) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL18454017 0.84 HTR1A (0.64) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL21402284 0.84 TAAR1 (0.59) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9281549 0.83 TAAR1 (0.76) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL10763724 0.80 TAAR1 (0.71) TAAR1TSHRMAPK1LMNAGLA

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-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed