SCHEMBL18579869

SCHEMBL18579869

C=CCNCCC(=C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 6/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
FAAH O00519 1/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL1073432 0.88 TSHR (0.39) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1489418 0.83 ALOX15 (0.42) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL757712 0.83
SCHEMBL17727677 0.81 TSHR (0.37) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28746790 0.80 FAAH (0.41) TSHRSMN1; SMN2MAPTALDH1A1FAAH
Urea SCHEMBL27483216 0.77 ALDH1A1 (0.44) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1961289 0.77 TSHR (0.43) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL30508394 0.77 CA12 (0.43) TSHRMAPTALDH1A1KDM4EKMT2A
SCHEMBL4855330 0.77 TDP1 (0.35) TSHRKMT2A
SCHEMBL253528 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10718960-B2 Method for producing contact lenses with wearing comfort ALCON INC. (CH) 2020-07-21 US disclosed
EP-3532276-A1 METHOD FOR PRODUCING SURFACE COATED CONTACT LENSES WITH WEARING COMFORT Novartis AG (CH) 2019-09-04 EP disclosed
EP-3344447-A1 METHOD FOR PRODUCING CONTACT LENSES WITH DURABLE LUBRICIOUS COATINGS THEREON Novartis AG (CH) 2018-07-11 EP disclosed
US-20180120590-A1 METHOD FOR PRODUCING CONTACT LENSES WITH WEARING COMFORT ALCON INC. (CH) 2018-05-03 US disclosed
US-9810812-B2 Method for producing contact lenses with durable lubricious coatings thereon NOVARTIS AG (CH) 2017-11-07 US disclosed
US-20170068019-A1 METHOD FOR PRODUCING CONTACT LENSES WITH DURABLE LUBRICIOUS COATINGS THEREON ALCON INC. (CH) 2017-03-09 US disclosed