SCHEMBL9580596

SCHEMBL9580596

C=C(C)C(=O)OCC.C=Cc1ccccc1C=C.CCCCCCCCCCCC[N+](C)(C)CC=Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ EGFR P00533 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ DNM1 Q05193 2/20 0.34
▸ MLNR O43193 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2B P18089 1/20 0.34

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
Methacrylic Acid SCHEMBL9580578 0.88 MEN1 (0.36) MEN1KMT2ATSHREGFRNPC1
Hydrochloric Acid SCHEMBL28924433 0.80 TSHR (0.56) MEN1KMT2ATSHRNPC1DNM1
Styrene SCHEMBL9580582 0.79 EGFR (0.37) MEN1KMT2AEGFRDNM1MLNR
SCHEMBL9580631 0.79 MEN1 (0.45) MEN1KMT2ANPC1ADORA3ALDH1A1
SCHEMBL11081808 0.77 DNM1 (0.54) MEN1KMT2AEGFRDNM1MLNR
SCHEMBL9580589 0.77 DNM1 (0.40) MEN1KMT2ADNM1MLNRNR1I2
Hydrochloric Acid SCHEMBL32674559 0.76 KMT2A (0.55) MEN1KMT2AEGFRDNM1MLNR
Hydrochloric Acid SCHEMBL8070951 0.76 KMT2A (0.55) MEN1KMT2AEGFRDNM1MLNR
SCHEMBL28921993 0.76 MAPT (0.49) MEN1KMT2ATSHRALDH1A1LMNA
Styrene SCHEMBL26633379 0.76 TSHR (0.58) TSHRNPC1ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5230885-A Anticholesterol agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-27 — — US claimed
US-5230885-A Anticholesterol agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-27 — — US disclosed
US-5230885-A Anticholesterol agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-27 — — US disclosed
EP-0403271-A2 Polymer compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-12-19 — — EP disclosed
Send feedback