SCHEMBL31036740

SCHEMBL31036740

COc1ccc(Br)c(C(=O)CC2OC(=O)c3ccccc3S2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 1/20 0.41
RAB9A P51151 5/20 0.39
POLB P06746 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
HDAC4 P56524 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 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
SCHEMBL31036770 0.83 HPGD (0.36) TSHRHTTHPGDMAPK1MAPT
SCHEMBL31036700 0.82 MAPT (0.56) TSHRHTTHPGDMAPK1MAPT
SCHEMBL31036624 0.81 MAPK1 (0.48) TSHRHTTHPGDMAPK1MAPT
SCHEMBL31036648 0.77 MAPT (0.39) TSHRHTTMAPK1MAPTRAB9A
SCHEMBL31036695 0.75 KDM4E (0.49) TSHRHTTHPGDMAPK1MAPT
SCHEMBL31036673 0.75 KDM4E (0.64) TSHRHTTHPGDMAPK1MAPT
SCHEMBL31036724 0.73 SMN1; SMN2 (0.51) TSHRHTTHPGDMAPK1MAPT
SCHEMBL31036753 0.72 MAPT (0.41) TSHRHTTHPGDMAPK1MAPT
SCHEMBL31036760 0.71 HTT (0.46) TSHRHTTHPGDMAPK1MAPT
SCHEMBL23457081 0.67 RAB9A (0.58) TSHRHTTHPGDMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO claimed
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO disclosed
WO-2024189634-A1 HIGHLY ATOM ECONOMICAL PROCESS FOR SYNTHESIS OF NOVEL CO-INITIATOR FOR PHOTO-INDUCED RADICAL POLYMERISATION SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-09-19 WO disclosed