SCHEMBL20188224

SCHEMBL20188224

O=S(=O)(CCCO)NCCc1cccc(OC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 11/20 0.51
▸ MTNR1A P48039 1/20 0.42
▸ TBXA2R P21731 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ MEF2D Q14814 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38

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
SCHEMBL20188526 0.89 DUT (0.51) DUTMTNR1ANPC1RAB9AKAT6A
SCHEMBL20187971 0.87 DUT (0.49) DUTMTNR1ANPC1RAB9AKAT6A
SCHEMBL20188045 0.86 DUT (0.51) DUTMTNR1ANPC1RAB9AKAT6A
SCHEMBL20188104 0.81 DUT (0.52) DUTTBXA2RALDH1A1TSHR
SCHEMBL20188455 0.80 DUT (0.47) DUTMTNR1ANPC1RAB9AKAT6A
SCHEMBL20188201 0.79 DUT (0.49) DUT
SCHEMBL20190338 0.78 DUT (0.46) DUTMTNR1ANPC1RAB9AKAT6A
SCHEMBL20188149 0.76 DUT (0.45) DUTMTNR1ANPC1RAB9AAKR1C3
SCHEMBL12630551 0.76 DUT (0.66) DUT
SCHEMBL21315518 0.76 DUT (0.66) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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