SCHEMBL6865989

SCHEMBL6865989

CC(OC(=O)OC1CCCCC1)OC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.41
▸ HTR4 Q13639 2/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL1378229 0.81 HPGD (0.38) EPHX1LMNACYP2D6SLC6A2SLC6A3
SCHEMBL6874059 0.79 MAOA (0.50) TAS1R3TAS1R1LMNACYP2D6SLC6A2
SCHEMBL25913609 0.78 SCN1A (0.48) LMNACYP2D6CYP1A2MAPTCYP2C19
SCHEMBL1378233 0.78 ALDH1A1 (0.45) EPHX1LMNARAB9ANPC1
SCHEMBL24848168 0.77 MEN1 (0.46) EPHX1LMNACYP2D6CYP1A2MAPT
SCHEMBL5010378 0.77 PARP10 (0.44) LMNACYP2D6CYP1A2MAPTRAB9A
SCHEMBL25920617 0.77 LMNA (0.56) LMNACYP2D6CHRM2CYP1A2MAPT
SCHEMBL1675118 0.76 CA12 (0.53) TAS1R3TAS1R1LMNATUBB4ATUBB
SCHEMBL6614030 0.76 TAS1R3 (0.51) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL6874334 0.76 TAS1R3 (0.45) TAS1R3TAS1R1TUBB4ATUBBTUBA3C

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
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 — — EP disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — WO disclosed
Send feedback